2VU9
CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B
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 | 2007-12-18 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.700, 116.110, 105.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.670 - 1.600 |
R-factor | 0.162 |
Rwork | 0.161 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nyy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.455 |
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 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.040 | 0.400 |
Number of reflections | 58845 | |
<I/σ(I)> | 27 | 5.3 |
Completeness [%] | 99.6 | 99.2 |
Redundancy | 7.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 21% PEG3350, 0.2 M MGCL2, 0.1 M BISTRIS PH5.5 |