6NWK

Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with dexamethasone 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	2018-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	C 2 2 21
Unit cell lengths	71.787, 96.407, 107.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.369 - 1.650
R-factor	0.187
Rwork	0.186
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gn8
RMSD bond length	0.010
RMSD bond angle	1.041
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	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.223	0.236	1.048
Rmeas	0.233	0.247	1.146
Rpim	0.068	0.072	0.445
Total number of observations	476604
Number of reflections	45132	4771	4130
<I/σ(I)>	9.8
Completeness [%]	98.6	99.6	91.4
Redundancy	10.6	11.9	5.9
CC(1/2)		0.961	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.3 M sodium chloride, 2.6 M sodium formate and 0.1 M PIPES pH 7.0