7BIA
Crystal structure of human GSTP1 bound to iberin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.410, 89.780, 68.854 |
Unit cell angles | 90.00, 98.05, 90.00 |
Refinement procedure
Resolution | 44.890 - 1.730 |
R-factor | 0.1794 |
Rwork | 0.177 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x79 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.901 |
Data reduction software | pointless |
Data scaling software | pointless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.840 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.064 | 0.362 |
Rpim | 0.026 | 0.154 |
Number of reflections | 48004 | 2189 |
<I/σ(I)> | 15.3 | 3.6 |
Completeness [%] | 99.0 | 82.3 |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.957 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES pH 6.0, 25% PEG8000, 0.02M CaCl2, 5mM DTT |