5DA5
Crystal structure of Rhodospirillum rubrum Rru_A0973
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7311 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.184, 120.533, 140.250 |
| Unit cell angles | 90.00, 95.36, 90.00 |
Refinement procedure
| Resolution | 49.627 - 2.064 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k6c |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.264 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.630 | 2.100 |
| High resolution limit [Å] | 2.064 | 2.064 |
| Rmerge | 0.123 | 0.790 |
| Number of reflections | 395746 | |
| <I/σ(I)> | 10.6 | 1.6 |
| Completeness [%] | 99.2 | 88.6 |
| Redundancy | 6.4 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1 - 2 ul protein mixed with 1 ul well solution over 1 ml well solution. 0.14 M calcium acetate 15 % (w/v) PEG3350 |
