4CLO
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 |
| Collection date | 2011-06-16 |
| Detector | RIGAKU R-AXIS IV IMAGING PLATE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.124, 89.243, 84.382 |
| Unit cell angles | 90.00, 115.27, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.880 |
| R-factor | 0.15918 |
| Rwork | 0.157 |
| R-free | 0.20354 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.714 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.720 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.050 | 0.210 |
| Number of reflections | 75665 | |
| <I/σ(I)> | 20.5 | 6.6 |
| Completeness [%] | 94.0 | 81.1 |
| Redundancy | 4.6 | 4 |
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 |
