1W62
proline racemase in complex with one molecule of pyrrole-2-carboxylic acid (hemi form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.018, 89.382, 84.456 |
Unit cell angles | 90.00, 125.98, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.177 |
Rwork | 0.170 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w61 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.766 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.220 |
Number of reflections | 27664 | |
<I/σ(I)> | 10 | 4 |
Completeness [%] | 97.6 | 97.4 |
Redundancy | 2.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 15% PEG 4000,100MM NH4ACETATE 50MM NA3CITRATE.H2O,PH5.6, pH 5.60 |