2VD9
The crystal structure of alanine racemase from Bacillus anthracis (BA0252) with bound L-Ala-P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-20 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.692, 96.504, 140.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.640 - 2.100 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vd8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.195 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.230 | 0.880 |
Number of reflections | 48124 | |
<I/σ(I)> | 7.1 | 1.2 |
Completeness [%] | 99.9 | 9 |
Redundancy | 6.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 25% (W/V) POLYETHYLENE GLYCOL 3350, 0.1M BIS-TRIS PH6.5, SOAKED IN 10MM L-ALA-P FOR 45 MINUTES, CRYOPROTECTED IN 25% GLYCEROL |