6ATQ
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 | 2012-10-23 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.591, 90.692, 51.250 |
Unit cell angles | 90.00, 92.53, 90.00 |
Refinement procedure
Resolution | 34.917 - 2.000 |
R-factor | 0.171 |
Rwork | 0.169 |
R-free | 0.23480 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1guh |
RMSD bond length | 0.008 |
RMSD bond angle | 0.986 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.120 | |
Number of reflections | 29807 | 2624 |
<I/σ(I)> | 13.48 | |
Completeness [%] | 96.8 | 85.8 |
Redundancy | 6.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 2000 MME, 25% (w/v), 0.1 M MES, 6.5 |