2XOX
Crystal structure of pteridine reductase (PTR1) from Leishmania donovani
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 | 2008-12-16 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.509, 126.443, 87.513 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.900 - 2.500 |
| R-factor | 0.23027 |
| Rwork | 0.227 |
| R-free | 0.28448 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e7w |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.802 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.100 | 0.420 |
| Number of reflections | 21006 | |
| <I/σ(I)> | 11 | 3.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | RESERVOIR CONTAINED 0.1M MES PH 6.5, 10% (V/V) DIOXANE, 1.6M AMMONIUM SULFATE. |
