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 |