5O84
Glutathione S-transferase Tau 23 (partially oxidized)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 85.165, 50.740, 57.167 |
Unit cell angles | 90.00, 112.47, 90.00 |
Refinement procedure
Resolution | 30.260 - 1.880 |
R-factor | 0.1827 |
Rwork | 0.181 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vo4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.015 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.640 | 42.640 | 1.840 |
High resolution limit [Å] | 1.800 | 9.010 | 1.800 |
Rmerge | 0.053 | 0.025 | 0.668 |
Rmeas | 0.063 | 0.030 | 0.905 |
Rpim | 0.034 | 0.017 | 0.603 |
Total number of observations | 65778 | 505 | 1275 |
Number of reflections | 19633 | ||
<I/σ(I)> | 15.5 | 52 | 1.2 |
Completeness [%] | 93.7 | 91.9 | 52.2 |
Redundancy | 3.4 | 3 | 2 |
CC(1/2) | 0.999 | 0.999 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.16 M MgCl2, 0.08 M Tris-HCl pH 8.5, 24% PEG 4000, 20% glycerol |