2VD8
The crystal structure of alanine racemase from Bacillus anthracis (BA0252)
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 | 57.552, 88.365, 138.968 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.190 - 1.470 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sft |
RMSD bond length | 0.010 |
RMSD bond angle | 1.412 |
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 | 1.520 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.110 | 0.950 |
Number of reflections | 116056 | |
<I/σ(I)> | 18.6 | 1.2 |
Completeness [%] | 96.3 | 78.3 |
Redundancy | 9.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 25% (W/V) POLYETHYLENE GLYCOL 3350, 0.1 M BIS-TRIS PH 6.5 |