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 |
