5JTG
Crystal structure of Thermotoga maritima mutant D89K/D253K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.125, 104.488, 122.821 |
| Unit cell angles | 90.00, 106.13, 90.00 |
Refinement procedure
| Resolution | 47.770 - 3.050 |
| R-factor | 0.24774 |
| Rwork | 0.246 |
| R-free | 0.29062 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iub |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.099 |
| 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] | 47.800 | 3.230 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.083 | 1.544 |
| Number of reflections | 56456 | |
| <I/σ(I)> | 11.3 | 1 |
| Completeness [%] | 99.2 | 98.1 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 0.2 M Mg(HCO2)2, 0.1 M MES, pH 6.0, 25% PEG 400 |
