5YVO
Human Glutathione Transferase Omega1 covalently bound to ML175 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2016-10-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 56.744, 56.744, 139.356 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.16735 |
Rwork | 0.166 |
R-free | 0.20319 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.116 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.830 |
High resolution limit [Å] | 1.799 | 1.799 |
Number of reflections | 24942 | |
<I/σ(I)> | 33.77 | |
Completeness [%] | 99.9 | |
Redundancy | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 288 | 2 M Ammonium sulfate, 100 mM Sodium Acetate |