3SQP
Structure of human glutathione reductase complexed with pyocyanin, an agent with antimalarial activity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-27 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 62.080, 67.370, 78.860 |
Unit cell angles | 68.98, 66.81, 62.54 |
Refinement procedure
Resolution | 37.710 - 2.210 |
R-factor | 0.146 |
Rwork | 0.144 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3djj |
RMSD bond length | 0.005 |
RMSD bond angle | 0.903 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.710 | 2.250 |
High resolution limit [Å] | 2.200 | 2.210 |
Number of reflections | 47828 | |
Completeness [%] | 93.9 | 78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 660 MM AMMONIUM SULFATE, 100 MM POTASSIUM PHOSPHATE, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K |