4CL8
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 |
Collection date | 2011-03-21 |
Detector | RIGAKU R-AXIS IV IMAGING PLATE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.430, 89.420, 82.220 |
Unit cell angles | 90.00, 115.53, 90.00 |
Refinement procedure
Resolution | 34.370 - 2.200 |
R-factor | 0.15168 |
Rwork | 0.149 |
R-free | 0.20696 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.787 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.710 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.196 | 0.660 |
Number of reflections | 49452 | |
<I/σ(I)> | 7.4 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.2 | 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 |