3PPU
Crystal structure of the glutathione-S-transferase Xi from Phanerochaete chrysosporium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980547 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.823, 70.331, 72.566 |
| Unit cell angles | 90.00, 98.79, 90.00 |
Refinement procedure
| Resolution | 46.660 - 2.300 |
| R-factor | 0.19245 |
| Rwork | 0.191 |
| R-free | 0.22750 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.246 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.660 | 2.430 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.037 | 0.188 |
| Number of reflections | 36622 | |
| <I/σ(I)> | 19.8 | 4.8 |
| Completeness [%] | 98.9 | 96 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 277 | 20 to 30 % polyethylene glycol 4000 (PEG 4000), 0 to 0.2 M magnesium or calcium chloride and 0.1 M Tris-HCl, pH 8.5, Microbatch, temperature 277K |
