5UC1
Structural Analysis of Glucocorticoid Receptor beta Ligand Binding Domain Complexed with Glucocorticoid Antagonist RU-486: Implication of Helix 12 in Antagonism
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 48.361, 48.361, 385.802 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.094 - 2.351 |
R-factor | 0.2063 |
Rwork | 0.204 |
R-free | 0.25410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m2z |
RMSD bond length | 0.007 |
RMSD bond angle | 0.873 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.350 | |
Rmerge | 0.069 | 0.453 |
Number of reflections | 20767 | |
<I/σ(I)> | 28.6 | |
Completeness [%] | 98.0 | |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M MES pH 5.0 and 20 % MPD (v/v) |