7OVW
Binding domain of botulinum neurotoxin E in complex with GD1a
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.372, 84.920, 79.903 |
Unit cell angles | 90.00, 91.56, 90.00 |
Refinement procedure
Resolution | 53.770 - 2.200 |
Rwork | 0.216 |
R-free | 0.27090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ffz |
RMSD bond length | 0.002 |
RMSD bond angle | 1.212 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.770 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.066 | 0.529 |
Rmeas | 0.094 | 0.748 |
Rpim | 0.066 | 0.529 |
Number of reflections | 44975 | 3757 |
<I/σ(I)> | 7.5 | 1.7 |
Completeness [%] | 95.4 | 92.5 |
Redundancy | 3 | 2.8 |
CC(1/2) | 0.987 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 294 | 0.2 M sodium chloride 0.1 M phosphate/citrate pH 4.2, 20 % w/v PEG 8000 |