4CMJ
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 | 2012-12-18 |
| Detector | RIGAKU SATURN 944 HG |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.300, 90.200, 82.190 |
| Unit cell angles | 90.00, 115.65, 90.00 |
Refinement procedure
| Resolution | 13.940 - 2.200 |
| R-factor | 0.20904 |
| Rwork | 0.205 |
| R-free | 0.28478 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c7v |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.832 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.940 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.150 | 0.680 |
| Number of reflections | 46799 | |
| <I/σ(I)> | 5.1 | 2.3 |
| Completeness [%] | 94.5 | 88.3 |
| Redundancy | 3.3 | 3 |
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 |
