4MDD
Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2012-02-15 |
Detector | RAYONIX MX225HE |
Wavelength(s) | .97931 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.543, 72.543, 229.472 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.800 - 2.400 |
R-factor | 0.222 |
Rwork | 0.221 |
R-free | 0.25840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.070 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.800 | 2.300 |
High resolution limit [Å] | 2.180 | 2.180 |
Number of reflections | 406044 | |
Completeness [%] | 99.6 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 100mM Tris HCl plus 6% 1,6 - Hexanediol + 24% PEG 8K, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 294K |