2CAQ
Structure of R21L mutant of Sh28GST in complex with GSH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-21 |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.185, 53.185, 141.856 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.300 - 2.000 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oe7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.208 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.130 |
Number of reflections | 16536 | |
<I/σ(I)> | 19.9 | 10.3 |
Completeness [%] | 98.4 | 98.7 |
Redundancy | 5.6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 2.3 M (NH4)2SO4 PBS PH 7.4 5 MM ETANTHIOL 10% PEG 200 |