6NWL
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment
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 | PIXEL |
Collection date | 2018-08-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.756, 96.435, 108.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.422 - 1.595 |
R-factor | 0.1793 |
Rwork | 0.179 |
R-free | 0.19300 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.806 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.595 | 3.450 | 1.600 |
Rmerge | 0.200 | 0.217 | 1.875 |
Rmeas | 0.209 | 0.227 | 1.962 |
Rpim | 0.060 | 0.065 | 0.572 |
Number of reflections | 50002 | 5204 | 4923 |
<I/σ(I)> | 10.2 | ||
Completeness [%] | 99.6 | 99.1 | 99.5 |
Redundancy | 11.7 | 12 | 11.2 |
CC(1/2) | 0.955 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.05 M sodium thiocyanate, 0.95 M sodium tartrate dibasic dehydrate and 0.1M HEPES pH 7.5 |