2WD7
PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-09-18 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.677, 89.890, 82.695 |
Unit cell angles | 90.00, 115.48, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.15713 |
Rwork | 0.155 |
R-free | 0.20225 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c7v |
RMSD bond length | 0.016 |
RMSD bond angle | 1.627 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.050 | 0.310 |
Number of reflections | 71041 | |
<I/σ(I)> | 13 | 2.4 |
Completeness [%] | 91.6 | 63.8 |
Redundancy | 2.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | 1.8M NA ACETATE, 0.1M CITRATE BUFFER PH6.0, pH 4.5 |