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 |