5VA0

Glucocorticoid Receptor DNA Binding Domain in complex with AP-1 response element from VCAM-1 Promoter

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	2013-01-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	39.442, 96.280, 105.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.483 - 2.295
R-factor	0.1999
Rwork	0.197
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hn5
RMSD bond length	0.008
RMSD bond angle	0.972
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.280	4.910	2.280
Rmerge	0.133	0.132	0.807
Rmeas	0.145	0.144	0.877
Rpim	0.056	0.056	0.338
Total number of observations	130117
Number of reflections	18797
<I/σ(I)>	7.3
Completeness [%]	96.7	99.6	90.1
Redundancy	6.9	6.6	6.7
CC(1/2)		0.983	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.05 M Na Cacodylate (pH 7), 5 mM MgCl2, 1 mM Spermine, and 2 % t-Butanol