2CA8
Structure of Sh28GST in complex with GSH at pH 6.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-14 |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.304, 53.304, 142.362 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.460 - 2.490 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oe7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.475 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.590 |
High resolution limit [Å] | 2.460 | 2.000 |
Rmerge | 0.070 | 0.070 |
Number of reflections | 8673 | |
<I/σ(I)> | 10.2 | 8.7 |
Completeness [%] | 99.1 | 98.4 |
Redundancy | 8.3 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 10% PEG4K, 0.2M IMADAZOLE/MALATE PH 6.0 |