7TAB

G-925 bound to the SMARCA4 (BRG1) Bromodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-12-15
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.98011
Spacegroup name	P 1 21 1
Unit cell lengths	30.227, 28.597, 65.740
Unit cell angles	90.00, 91.31, 90.00

Refinement procedure

Resolution	32.880 - 1.160
R-factor	0.1809
Rwork	0.180
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2grc
RMSD bond length	0.014
RMSD bond angle	2.041
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.200
High resolution limit [Å]	1.160	2.500	1.160
Rmerge	0.080	0.050	0.570
Total number of observations	134810
Number of reflections	38722	4014	3349
<I/σ(I)>	8.6
Completeness [%]	98.4	98.4	86.4
Redundancy	3.5	3.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	Protein in buffer: 20 mM Hepes pH 7.5, 150 mM NaCl, 0.5 mM TCEP, at a concentration of 15.55 mg/ml (1.03 mM) Reservoir solution contains: Jeffamine ED-2001 pH 7.0 at 30%, Tris-HCl pH 8.5 at 0.1 M, 4% PEG 400