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 |
