skills/adaptyvbio/protein-design-skills/binding-characterization

binding-characterization

SKILL.md

Binding Characterization: SPR and BLI

SPR vs BLI Decision Matrix

Factor Choose SPR Choose BLI
Sensitivity Small molecules, fragments (<500 Da) Large complexes, antibodies
Throughput Low-medium (serial) High (96-well parallel)
Sample purity Required (clogs fluidics) Tolerates crude lysates
Kinetic resolution Higher (better for fast kinetics) Lower
Mass transport More sensitive (may distort kon) Less sensitive
Maintenance High (fluidics system) Low (dip-and-read)
Sample consumption Higher (continuous flow) Lower
Cost per experiment Lower chip cost, higher run cost Higher tip cost, lower run cost

Key differences

SPR (Surface Plasmon Resonance)

  • Mechanism: Detects refractive index changes at gold surface
  • Surface: Gold chip with dextran matrix (CM5, CM7, etc.)
  • Flow: Continuous microfluidics
  • Best for: Small molecules, high-affinity, precise kon/koff

BLI (Biolayer Interferometry)

  • Mechanism: Measures optical interference pattern shift
  • Surface: Fiber optic biosensor tips (SA, Ni-NTA, AHC)
  • Flow: Dip-and-read (no microfluidics)
  • Best for: High-throughput, crude samples, antibody screening

Troubleshooting: Why BLI works but SPR doesn't

Cause Mechanism Solution
Hydrophobic CDRs Adsorb to SPR gold/dextran surface Add 0.05% Tween-20, use CM7 chip with longer dextran
Aggregation Mass transport artifacts in SPR fluidics Filter sample (0.22μm), reduce ligand density
High instability Degrades during continuous flow Shorter cycle time, add stabilizers (trehalose 5%)
Charge mismatch Nonspecific binding to charged dextran Adjust buffer pH ±1 from pI, add BSA 1mg/mL
Slow dissociation Long regeneration needed (damages ligand) Use BLI (disposable tips)

Why SPR works but BLI doesn't

Cause Mechanism Solution
Small analyte BLI less sensitive for <10 kDa Use SPR with appropriate chip
Weak affinity (KD >10μM) Fast dissociation in BLI dip Increase analyte concentration
Low expression Not enough signal Increase biosensor loading

Mass transport considerations

Mass transport limitation occurs when analyte cannot diffuse to the surface fast enough to maintain equilibrium. This distorts kinetic parameters.

Symptoms

  • Observed kon appears slower than true kon
  • Linear association phase (instead of exponential)
  • kon varies with ligand density
  • Rmax varies with flow rate

When mass transport matters

  • High-affinity interactions (kon >10^6 M^-1s^-1)
  • High ligand density (>500 RU)
  • Slow flow rates (<30 μL/min in SPR)
  • Large analytes (slow diffusion)

Mitigation strategies

Strategy SPR BLI
Reduce ligand density <200 RU for high-affinity <0.5 nm shift loading
Increase flow rate 50-100 μL/min Increase shake speed (1000 rpm)
Use oriented immobilization His-tag capture Biotinylated ligand
Include in fitting Mass transport model (kt) Usually less critical

Nonspecific binding mitigation

Buffer additives (ranked by effectiveness)

Additive Concentration Mechanism Best For
BSA 0.5-1 mg/mL Blocks hydrophobic sites General use
Tween-20 0.02-0.05% Prevents surface adsorption Hydrophobic analytes
Trehalose 1-5% Stabilizes + blocks Unstable proteins
Sucrose 5% BLI-specific blocker BLI tips
Carboxymethyl dextran 1 mg/mL Competitive blocking SPR with charged proteins
NaCl 150-500 mM Reduces ionic interactions Charged proteins

pH optimization

  • Keep buffer pH at least 1 unit away from analyte pI
  • pI near 7: Use pH 6.0 or 8.0 buffer
  • Acidic proteins (pI <5): Use neutral or basic buffer
  • Basic proteins (pI >9): Use slightly acidic buffer

Reference subtraction

Always include:

  • Blank reference channel (no ligand)
  • Buffer-only injections
  • Non-specific binding controls

Regeneration conditions

SPR regeneration scouting (try in order)

Condition Targets Caution
10 mM Glycine pH 2.0-2.5 Most protein-protein May denature ligand
10 mM Glycine pH 1.5 Strong interactions Harsh, limit exposure
1-2 M NaCl Ionic interactions Mild, try first
10 mM NaOH Very stable ligands Can hydrolyze proteins
10 mM Glycine pH 9-10 Acid-stable proteins Can aggregate
10 mM EDTA His-tag, metal-dependent Strips Ni-NTA
4 M MgCl2 Hydrophobic interactions Check ligand stability

Regeneration protocol

  1. Start with mildest condition (high salt)
  2. Test 30s contact time
  3. Verify complete dissociation (return to baseline)
  4. Verify retained ligand activity (repeat binding)
  5. Use shortest effective contact time

BLI tips

  • Tips are often disposable (no regeneration needed)
  • For reuse: Same conditions as SPR, but shorter exposure
  • Anti-His tips: 10 mM Glycine pH 1.5, 30s
  • Streptavidin tips: Generally not regenerable

Common artifacts and solutions

Biphasic binding

Symptoms: Two-rate association or dissociation Causes:

  • Sample heterogeneity (aggregates)
  • Ligand heterogeneity (multiple conformations)
  • Avidity effects (bivalent analyte)

Solutions:

  • Filter/centrifuge sample
  • Use monovalent Fab fragments
  • Reduce ligand density
  • Fit to heterogeneous model

Negative dissociation

Symptoms: Signal increases during dissociation phase Causes:

  • Ligand leaching from surface
  • Analyte aggregation on surface
  • Reference channel drift

Solutions:

  • Use capture antibody instead of direct immobilization
  • Increase buffer stringency
  • Better reference subtraction

Hook effect

Symptoms: Signal decreases at high analyte concentrations Causes:

  • Surface saturation + rebinding suppression
  • Crowding effects

Solutions:

  • Reduce analyte concentration range
  • Reduce ligand density
  • Use smaller analyte fragments

Kinetic data quality checklist

Before analysis

  • Reference-subtracted properly
  • Buffer injection shows flat baseline
  • Rmax consistent across concentrations
  • No systematic drift during association
  • Complete regeneration (return to baseline)
  • Duplicate/triplicate injections consistent

Fitting quality

  • Residuals randomly distributed (no systematic deviation)
  • Chi² < 10% of Rmax (or < 1 RU² for low signals)
  • kon and koff errors < 20% of values
  • KD from kinetics matches equilibrium KD (within 3-fold)
  • Fitted Rmax reasonable (close to theoretical)

Red flags

  • kon approaching mass transport limit (>10^7 M^-1s^-1)
  • koff faster than data acquisition (< 0.01 s^-1 requires faster sampling)
  • Rmax >> theoretical maximum (aggregation or avidity)
  • Large difference between kinetic and equilibrium KD

References

Platform comparisons

SPR protocols

Troubleshooting

Regeneration

Mass transport

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