9S6K
Structure of C. tepidum Rel in an open state in complex with Nb898
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 197.427, 88.299, 62.521 |
| Unit cell angles | 90.00, 101.88, 90.00 |
Refinement procedure
| Resolution | 96.073 - 3.150 |
| R-factor | 0.28 |
| Rwork | 0.279 |
| R-free | 0.30410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0_5885) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.073 | 3.306 |
| High resolution limit [Å] | 3.150 | 3.151 |
| Rmerge | 0.619 | 3.235 |
| Rmeas | 0.671 | 3.513 |
| Rpim | 0.258 | 1.355 |
| Total number of observations | 3781 | |
| Number of reflections | 11630 | 581 |
| <I/σ(I)> | 5.1 | 1.1 |
| Completeness [%] | 88.8 | |
| Redundancy | 6.6 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 3.5 | 293 | 29 % w/v PEG 6000 0.2 M Sodium citrate, 40% PEG 400 |
