6X6D

Glucocorticoid Receptor DNA binding domain in complex with unmodified precursor for a modern recognition element (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	2016-08-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	130.426, 39.000, 96.791
Unit cell angles	90.00, 118.71, 90.00

Refinement procedure

Resolution	39.456 - 2.480
R-factor	0.1913
Rwork	0.190
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fyl
RMSD bond length	0.005
RMSD bond angle	0.662
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.456	2.570
High resolution limit [Å]	2.480	2.480
Rmeas	0.148
Rpim	0.079
Number of reflections	15307	1508
<I/σ(I)>	14.05
Completeness [%]	98.6
Redundancy	3.1
CC(1/2)		0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289.15	50 mM Sodium cacodylate pH 6.5, 80 mM Calcium chloride, 1 % glycerol, and 8.5% PEG 400