1RCQ
The 1.45 A crystal structure of alanine racemase from a pathogenic bacterium, Pseudomonas aeruginosa, contains both internal and external aldimine forms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2000-09-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9840, 0.9795, 0.9791, 0.9611 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.679, 76.129, 136.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.450 |
Rwork | 0.149 |
R-free | 0.20600 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 2.180 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.030 | 0.150 |
Number of reflections | 56981 | |
<I/σ(I)> | 51.5 | 3.9 |
Completeness [%] | 84.7 | 36.2 |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG 400, ammonium sulfate, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |