3UVD

Crystal Structure of the bromodomain of human Transcription activator BRG1 (SMARCA4) in complex with N-Methyl-2-pyrrolidone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-07-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.52
Spacegroup name	P 1 21 1
Unit cell lengths	30.200, 29.890, 67.060
Unit cell angles	90.00, 90.45, 90.00

Refinement procedure

Resolution	29.890 - 1.850
R-factor	0.2027
Rwork	0.200
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of PDB entries 2GRC 2oss 2ouo 2oo1 3dai 3d7c 3dwy 3g0l 3g0j 3gg3
RMSD bond length	0.016
RMSD bond angle	1.722
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.890	29.890	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.067	0.058	0.544
Total number of observations		1201	5136
Number of reflections	10488
<I/σ(I)>	10	7.1	1.4
Completeness [%]	100.0	99.5	100
Redundancy	3.5	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	28% MMW PEG smear 0.1M Tris.HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K