4CLR
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 | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-01 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.346, 90.775, 84.378 |
| Unit cell angles | 90.00, 115.27, 90.00 |
Refinement procedure
| Resolution | 29.200 - 1.750 |
| R-factor | 0.13888 |
| Rwork | 0.137 |
| R-free | 0.16917 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c7v |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.609 |
| 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] | 29.200 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.080 | 0.560 |
| Number of reflections | 100986 | |
| <I/σ(I)> | 17.9 | 3.4 |
| Completeness [%] | 99.0 | 94.8 |
| Redundancy | 7.4 | 6.6 |
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 |
