6GEV
Mineralocorticoid receptor in complex with (s)-13
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 | 2012-04-23 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.690, 77.920, 78.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.400 - 1.540 |
| R-factor | 0.173 |
| Rwork | 0.172 |
| R-free | 0.19000 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.680 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.061 | |
| Rpim | 0.029 | 0.377 |
| Number of reflections | 44704 | 3117 |
| <I/σ(I)> | 13.7 | 2.3 |
| Completeness [%] | 99.4 | 95.6 |
| Redundancy | 5 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.9 M (NH4)2SO4, 3.5% 1,4-butanediol, 0.1 M CHES pH 9.5 |
