6HJE
Trypanosoma cruzi proline racemase in complex with inhibitor NG-P27
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2013-06-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00637 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.233, 90.640, 85.394 |
| Unit cell angles | 90.00, 126.04, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.000 |
| R-factor | 0.178 |
| Rwork | 0.177 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w61 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 | 0.758 |
| Number of reflections | 54731 | |
| <I/σ(I)> | 7.8 | 1.7 |
| Completeness [%] | 98.8 | 98 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M POTASSIUM PHOSPHATE DIBASIC 21% (W/V) PEG-3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |
