5JRW
Crystal structure of Thermotoga maritima mutant D89R/D253R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 123.671, 134.808, 177.373 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 3.300 |
| R-factor | 0.23835 |
| Rwork | 0.237 |
| R-free | 0.27413 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i0u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.156 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.103 | 1.409 |
| Number of reflections | 51552 | |
| <I/σ(I)> | 8 | 1 |
| Completeness [%] | 95.5 | 90.8 |
| Redundancy | 4 | 4.1 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 294 | 0.2 M MgCl2, 0.1 M MES pH 6.0, 25% PEG 400 |
