6ZVM
Botulinum neurotoxin B2 binding domain in complex with GD1a
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-10 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 139.639, 56.162, 76.792 |
| Unit cell angles | 90.00, 122.00, 90.00 |
Refinement procedure
| Resolution | 63.730 - 1.800 |
| Rwork | 0.164 |
| R-free | 0.20320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kbb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.351 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.816 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.685 |
| Rmeas | 0.109 | 0.777 |
| Rpim | 0.042 | 0.356 |
| Number of reflections | 46758 | 2663 |
| <I/σ(I)> | 10.6 | 2.3 |
| Completeness [%] | 99.6 | 96.2 |
| Redundancy | 6.4 | 4.5 |
| CC(1/2) | 0.996 | 0.682 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.16 M calcium acetate hydrate, 0.08 M MES pH 6.5, 14.4% (w/v) PEG 8000, 20% (v/v) glycerol |
