1W61
proline racemase in complex with 2 molecules of pyrrole-2-carboxylic acid (holo form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.153, 91.209, 85.983 |
| Unit cell angles | 90.00, 126.52, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MODEL OF THE SAME PROTEIN OBTAINED BY SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.720 |
| 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] | 69.200 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | 0.130 |
| Number of reflections | 46967 | |
| <I/σ(I)> | 15.4 | 7.7 |
| Completeness [%] | 98.8 | 94.1 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 15% PEG 4000,100MM NH4ACETATE 50MM NA3CITRATE.2H2O,PH5.6, pH 5.60 |
