6X6E

Glucocorticoid Receptor DNA binding domain in complex with methylated precursor for a modern recognition element (methylated pre-GBS)

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	CCD
Collection date	2016-10-21
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	130.385, 39.089, 97.371
Unit cell angles	90.00, 118.62, 90.00

Refinement procedure

Resolution	36.990 - 2.000
R-factor	0.1832
Rwork	0.181
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fyl
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.991	2.072
High resolution limit [Å]	2.000	2.001
Rmeas	0.194
Rpim	0.076
Number of reflections	29271	2652
<I/σ(I)>	16.5
Completeness [%]	98.7	90.22
Redundancy	6.7	4
CC(1/2)		0.692

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298.15	50 mM sodium cacodylate pH 6.5, 80 mM calcium chloride, 1 % glycerol, and 7 % PEG 400