5OEI
R. palustris Rpa4515 with oxoadipate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.314, 168.468, 82.537 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.000 - 1.780 |
| R-factor | 0.18276 |
| Rwork | 0.181 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qpq |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.961 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.150 | 0.950 |
| Rpim | 0.060 | 0.530 |
| Number of reflections | 32168 | 1594 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 7.3 | 7.1 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 290 | 2 M ammmonium sulphate, 0.1 M sodium acetate |
