2C80
Structure of Sh28GST in complex with S-hexyl Glutathione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-23 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 |
| Unit cell lengths | 52.832, 52.832, 141.451 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.140 - 2.300 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.186 |
| 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] | 47.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.120 | 0.300 |
| Number of reflections | 18295 | |
| <I/σ(I)> | 11.3 | 6.5 |
| Completeness [%] | 99.0 | 98.3 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 20%PEG3350, 0.2M MES PH 6.0, 5MM BETA-MERCAPTOETHANOL |
