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. |