5MWY
The structure of MR in complex with eplerenone.
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 | 2014-09-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.538, 77.944, 78.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.460 - 1.750 |
| R-factor | 0.23 |
| Rwork | 0.229 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aa2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.920 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 30343 | 1671 |
| <I/σ(I)> | 18.1 | 4.2 |
| Completeness [%] | 98.3 | 99.7 |
| Redundancy | 5.7 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.9 M (NH4)2SO4, 0.1 M CHES pH 9.5, and 10% (v/v) of conditions G6 from the Morpheus Screen (Molecular Dimensions) |
