4CM4
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 | IMAGE PLATE |
| Collection date | 2011-09-22 |
| Detector | RIGAKU R-AXIS IV |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.673, 89.714, 82.732 |
| Unit cell angles | 90.00, 115.68, 90.00 |
Refinement procedure
| Resolution | 19.300 - 1.810 |
| R-factor | 0.1481 |
| Rwork | 0.146 |
| R-free | 0.18246 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.674 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.760 | 1.900 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.040 | 0.190 |
| Number of reflections | 83224 | |
| <I/σ(I)> | 24.7 | 8.2 |
| Completeness [%] | 92.6 | 77.1 |
| Redundancy | 5.1 | 4.5 |
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 |
