2GL5
Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 4 |
| Unit cell lengths | 116.972, 116.972, 116.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1muc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.216 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.600 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.083 | 0.157 |
| Number of reflections | 119062 | |
| <I/σ(I)> | 5.9 | 5.4 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 7.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 100MM HEPES, pH 7.0, 25% PEG MME550, 50MM MGCL2, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
