2VUA
Crystal Structure of the Botulinum Neurotoxin Serotype A binding domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-18 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 73.000, 114.500, 105.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 1.700 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nyy |
RMSD bond length | 0.014 |
RMSD bond angle | 1.478 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.530 |
Number of reflections | 48513 | |
<I/σ(I)> | 27 | 4.2 |
Completeness [%] | 99.0 | 98.4 |
Redundancy | 7.8 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.2 | 18% PEG3350, 0.2 M MGCL2, 0.1 M BISTRIS PH 5.2 |