4QC1

Crystal structure of human BAZ2B bromodomain in complex with an acetylated histone 3 peptide (H3K14ac)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	29.724, 67.012, 136.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.039 - 1.990
R-factor	0.21451
Rwork	0.212
R-free	0.25575
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensamble of pdb id G0L 1dvv 1x0j 3dai 3hmh 2grc 2oo1 2oss 2UOU 3d7c 3dwy
RMSD bond length	0.015
RMSD bond angle	1.658
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.039	29.040	2.110
High resolution limit [Å]	1.990	5.860	1.990
Rmerge	0.068	0.030	0.510
Number of reflections	19403
<I/σ(I)>	17.6	33.46	3.08
Completeness [%]	100.0	100	100
Redundancy	8.4	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	277	0.1M MES, 0.01M zinc sulfatE, 25% PEG methyl ether 550, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K