4G19
Crystal structure of the glutathione transferase GTE1 from Phanerochaete chrysosporium in complex with glutathione
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 | 2011-06-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97854 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.573, 88.146, 156.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.892 - 2.000 |
R-factor | 0.1788 |
Rwork | 0.177 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f03 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.029 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.480 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.069 | 0.375 |
Number of reflections | 81606 | |
<I/σ(I)> | 20 | 4.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.8 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 277 | 30% PEG 8000, 200 mM sodium acetate and 100 mM HEPES., pH 7.0, MICROBATCH, temperature 277K |