7PRW

The glucocorticoid receptor in complex with velsecorat, a PGC1a coactivator fragment and sgk 23bp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96550
Spacegroup name	P 21 21 21
Unit cell lengths	80.210, 122.724, 130.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.390 - 2.502
R-factor	0.2048
Rwork	0.202
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g9o 4p6w
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	autoPROC (1.1.7)
Phasing software	MOLREP
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.385	2.872
High resolution limit [Å]	2.502	2.502
Rmerge	0.082	0.792
Rmeas	0.090	0.878
Rpim	0.036	0.373
Number of reflections	23070	1154
<I/σ(I)>	12.6	1.9
Completeness [%]	93.4
Redundancy	6.3
CC(1/2)	0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	8.6 % PEG3350, 0.3 M 1,6-hexanediol, 0.1 M guanidine hydrochloride, 2 % 2,2,2-trifluoroethanol, 0.1 M BIS-TRIS propane pH 6.5