4ZBB
Crystal structure of the glutathione transferase URE2P8 from Phanerochaete chrysosporium complexed with glutathionyl-S-dinitrobenzene.
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 | 2011-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.451, 92.156, 184.734 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.263 - 1.800 |
| R-factor | 0.1669 |
| Rwork | 0.166 |
| R-free | 0.18090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zba |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.771 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.325 |
| Number of reflections | 85430 | |
| <I/σ(I)> | 6.5 | 5.1 |
| Completeness [%] | 99.4 | 96.5 |
| Redundancy | 18.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 278 | 30 % PEG4000, 0.1M TRIS pH8.5, 0.2M Sodium Acetate trihydrate |
