4CMB
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 | 2012-07-06 |
| Detector | RIGAKU SATURN 944 HG |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.060, 89.680, 84.350 |
| Unit cell angles | 90.00, 115.44, 90.00 |
Refinement procedure
| Resolution | 37.500 - 1.960 |
| R-factor | 0.17493 |
| Rwork | 0.172 |
| R-free | 0.22331 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c7v |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.743 |
| 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] | 37.800 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 66870 | |
| <I/σ(I)> | 12.9 | 3.4 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 3.3 | 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 |
