2YHU
Trypanosoma brucei PTR1 in complex with inhibitor WHF30
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-27 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.550, 90.290, 82.460 |
| Unit cell angles | 90.00, 115.43, 90.00 |
Refinement procedure
| Resolution | 40.850 - 2.010 |
| R-factor | 0.23742 |
| Rwork | 0.235 |
| R-free | 0.27959 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x9g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.326 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.470 | 2.100 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 61006 | |
| <I/σ(I)> | 8.8 | 3.3 |
| Completeness [%] | 97.1 | 93.9 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100 MM SODIUM CITRATE PH 5, 1.8 M SODIUM ACETATE |
