7PRX

wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment

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	2016-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.972422
Spacegroup name	P 1 21 1
Unit cell lengths	42.342, 73.433, 43.933
Unit cell angles	90.00, 105.86, 90.00

Refinement procedure

Resolution	42.260 - 2.200
R-factor	0.2286
Rwork	0.226
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m2z
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.430	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.124	0.694
Rpim	0.081	0.466
Number of reflections	13112	1111
<I/σ(I)>	6.6	1.7
Completeness [%]	99.2	99
Redundancy	3.3	3.1
CC(1/2)	0.995	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	18 % PEG8000, 2 % 2-Propanol, 0.1 M Sodium acetate, 0.1 M HEPES pH 7.5