4CLD
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 | 2011-05-23 |
Detector | RIGAKU R-AXIS IV IMAGING PLATE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.769, 90.056, 82.747 |
Unit cell angles | 90.00, 115.75, 90.00 |
Refinement procedure
Resolution | 19.740 - 1.770 |
R-factor | 0.14581 |
Rwork | 0.144 |
R-free | 0.18309 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c7v |
RMSD bond length | 0.012 |
RMSD bond angle | 1.603 |
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] | 19.740 | 1.870 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.070 | 0.430 |
Number of reflections | 87724 | |
<I/σ(I)> | 17.7 | 3.7 |
Completeness [%] | 92.1 | 78 |
Redundancy | 5 | 4.6 |
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 |