6SUW
Crystal structure of Rhodospirillum rubrum Rru_A0973 E31A variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.737 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 97.889, 120.160, 139.368 |
Unit cell angles | 90.00, 95.33, 90.00 |
Refinement procedure
Resolution | 49.400 - 2.660 |
R-factor | 0.1954 |
Rwork | 0.193 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5da5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.732 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 2.752 |
High resolution limit [Å] | 2.657 | 2.657 |
Rmerge | 0.136 | 0.657 |
Rmeas | 0.184 | 0.878 |
Rpim | 0.123 | 0.578 |
Number of reflections | 170103 | 16471 |
<I/σ(I)> | 5.45 | 1.4 |
Completeness [%] | 93.3 | 90.35 |
Redundancy | 1.8 | 1.8 |
CC(1/2) | 0.978 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 15% (w/v) PEG 3350, 0.15 M Calcium Acetate |