2YHI
Trypanosoma brucei PTR1 in complex with inhibitor WH16
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-04 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.280, 90.740, 84.290 |
| Unit cell angles | 90.00, 115.66, 90.00 |
Refinement procedure
| Resolution | 31.410 - 1.800 |
| R-factor | 0.18009 |
| Rwork | 0.179 |
| R-free | 0.20716 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x9g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.170 |
| 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] | 31.410 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.560 |
| Number of reflections | 87904 | |
| <I/σ(I)> | 15.8 | 2.7 |
| Completeness [%] | 94.5 | 88.4 |
| Redundancy | 5.2 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | RESERVOIR CONDITIONS: 100 MM SODIUM CITRATE PH 5, 1.8 M SODIUM ACETATE. |
