4CM9
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-22 |
| Detector | RIGAKU SATURN 944 HG |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.966, 87.640, 84.074 |
| Unit cell angles | 90.00, 115.75, 90.00 |
Refinement procedure
| Resolution | 43.820 - 1.900 |
| R-factor | 0.15409 |
| Rwork | 0.151 |
| R-free | 0.20241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c7v |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.771 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.820 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.400 |
| Number of reflections | 72202 | |
| <I/σ(I)> | 16.3 | 3.2 |
| Completeness [%] | 95.0 | 81.9 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | RESERVOIR CONTAINED 1.7-2.7 M SODIUM ACETATE, 20-50 MM SODIUM CITRATE PH 4.5-5.0 |
