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 |
