1R4W
Crystal structure of Mitochondrial class kappa glutathione transferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.900, 110.790, 74.740 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| Rwork | 0.204 |
| R-free | 0.25600 |
| Structure solution method | SIR with anomalous Hg |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.820 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.072 * | 0.166 |
| Total number of observations | 115187 * | |
| Number of reflections | 35795 | |
| <I/σ(I)> | 11 | 5 |
| Completeness [%] | 98.4 | 88.7 |
| Redundancy | 4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 4 * | well: 13-17% (w/v) PEG 2K, 40-80 mM lithium sulfate, 100 mM sodium citrate; drop: 1:1 protein:well, 0.05% beta-octyl-glucopyranoside, 1.5 mM glutathione, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | beta-n-octylglucopyranoside | 0.2 (%) | |
| 3 | 1 | drop | ligands | 3-5 (mM) | |
| 4 | 1 | drop | 0.1 (M) | ||
| 5 | 1 | drop | PEG3000 | 7 (%) | or PEG6000, pH4.0-4.4 |
| 6 | 1 | reservoir | sodium citrate | 50 (mM) | pH5.5 |
