6HJF
Trypanosoma cruzi proline racemase in complex with inhibitor BrOxoPA
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 | CCD |
| Collection date | 2010-07-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.666, 90.841, 85.919 |
| Unit cell angles | 90.00, 126.29, 90.00 |
Refinement procedure
| Resolution | 41.390 - 1.700 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w61 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.401 |
| 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] | 42.700 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.675 |
| Number of reflections | 86740 | |
| <I/σ(I)> | 12 | 1.7 |
| Completeness [%] | 98.5 | 95.8 |
| Redundancy | 3.8 | 3.5 |
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 |
