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 |
