5V3Q
Human GSTO1-1 complexed with ML175
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2016-01-12 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 57.103, 57.103, 139.613 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.450 - 2.250 |
R-factor | 0.17314 |
Rwork | 0.170 |
R-free | 0.23266 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eem |
RMSD bond length | 0.024 |
RMSD bond angle | 2.291 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.027 | 0.130 |
Number of reflections | 12979 | 1229 |
<I/σ(I)> | 57.84 | 13.51 |
Completeness [%] | 98.4 | 97.4 |
Redundancy | 5.2 | 5.3 |
CC(1/2) | 0.997 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 1.0-1.2 M ammonium sulfate, 50 mM sodium acetate, pH 4.6 |