6HJG
Trypanosoma cruzi proline racemase in complex with inhibitor OxoPA
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 | 2010-09-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97911 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.240, 91.331, 85.632 |
| Unit cell angles | 90.00, 126.45, 90.00 |
Refinement procedure
| Resolution | 41.240 - 1.900 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w61 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.487 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.077 | 0.599 |
| Number of reflections | 61363 | |
| <I/σ(I)> | 8.2 | 1.9 |
| Completeness [%] | 97.6 | 99.4 |
| Redundancy | 2.6 | 2.6 |
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 |
