6GGG
Mineralocorticoid receptor in complex with (s)-13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.985 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 75.729, 75.729, 121.238 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.230 - 1.710 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uda |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.240 | 1.880 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.101 | 1.434 |
| Rmeas | 0.109 | |
| Rpim | 0.031 | 0.431 |
| Number of reflections | 38653 | |
| <I/σ(I)> | 13.1 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.9 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Condition C2 of the morpheus screen (Molecular Dimension). |
