6ATP
Crystal structure of apo-hGSTA1-1 exhibiting a new conformation of C-terminal helix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-11-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.569, 91.442, 51.621 |
Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
Resolution | 36.572 - 1.700 |
R-factor | 0.1679 |
Rwork | 0.167 |
R-free | 0.20110 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1guh |
RMSD bond length | 0.003 |
RMSD bond angle | 0.596 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.060 | 0.890 |
Number of reflections | 49390 | 3829 |
<I/σ(I)> | 28.72 | |
Completeness [%] | 97.1 | 75.5 |
Redundancy | 6.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG 2000 MME, 20% (w/v), 0.05 M Tris HCl, pH 8.5 |