4QC3

Crystal structure of human BAZ2B bromodomain in complex with a diacetylated histone 4 peptide (H4K8acK12ac)

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 1 21 1
Unit cell lengths	61.670, 32.402, 62.033
Unit cell angles	90.00, 109.82, 90.00

Refinement procedure

Resolution	29.179 - 1.600
R-factor	0.16866
Rwork	0.168
R-free	0.18697
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of PDB ENTRY 3G0L 1dvv 1x0j 3dai 3hmh 2grc 2oo1 2oss 2UOU 3d7c 3dwy
RMSD bond length	0.009
RMSD bond angle	1.307
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.180	29.180	1.700
High resolution limit [Å]	1.600	4.740	1.600
Rmerge	0.019	0.017	0.040
Number of reflections	30743
<I/σ(I)>	45.4	50.8	18.09
Completeness [%]	100.0	100	100
Redundancy	4.3	2.28	2.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	18% PEG 8000, 0.2M calcium acetate, 0.1 M cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K