7YXR

Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	107.899, 107.899, 134.012
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	54.510 - 2.500
R-factor	0.189
Rwork	0.187
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufs
RMSD bond length	0.007
RMSD bond angle	1.564
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.400	9.010
High resolution limit [Å]	2.500	2.500
Rmeas	0.122	0.636
Rpim	0.081	0.360
Number of reflections	30280	3425
<I/σ(I)>	6.5	1.9
Completeness [%]	99.0	99.5
Redundancy	2.9	2.9
CC(1/2)	0.993	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate