1TDI
Crystal Structure of hGSTA3-3 in Complex with Glutathione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-12-12 |
Detector | MAC Science DIP-2020 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.985, 95.588, 114.039 |
Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
Resolution | 29.750 - 2.400 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1guh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.114 | 0.355 |
Number of reflections | 74040 | |
<I/σ(I)> | 9.12 | 2.94 |
Completeness [%] | 94.7 | 9.9 |
Redundancy | 2.38 | 2.28 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 288 | PEG 6000, Na-HEPES, pH 8.0, VAPOR DIFFUSION, temperature 288K |