2C8U
Structure of R21Q mutant of Sh28GST
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 | 2005-05-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.515, 77.480, 53.502 |
| Unit cell angles | 90.00, 93.83, 90.00 |
Refinement procedure
| Resolution | 53.380 - 2.000 |
| R-factor | 0.228 |
| Rwork | 0.224 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe7 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.349 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.970 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | |
| Number of reflections | 29529 | |
| <I/σ(I)> | 15 | 1.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 2.3 AMMONIUM SULPHATE, 0.1 M MES PH 6.0, 5MM BETA-MERCAPTOETHANOL |
