6GG8
Mineralocorticoid receptor in complex with (s)-13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2014-04-08 |
| Detector | RIGAKU |
| Wavelength(s) | 1.57 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.654, 77.953, 78.755 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.560 - 1.800 |
| R-factor | 0.207 |
| Rwork | 0.206 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uda |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| 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] | 36.560 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.077 | 0.844 |
| Rpim | 0.031 | 0.345 |
| Number of reflections | 28185 | |
| <I/σ(I)> | 16.1 | 2 |
| Completeness [%] | 99.1 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.9M (NH4)2SO4, 0.1 M CHES pH9.5, 10% (v/v) of condition C8 of the Morpheus Screen (Molecular Dimension) |
