4QYD

Crystal Structure of the human BRPF1 bromodomain in complex with a histone H4K12ac peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-24
Detector	ADSC QUANTUM 315r
Spacegroup name	P 43 21 2
Unit cell lengths	75.100, 75.100, 86.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 1.940
R-factor	0.177
Rwork	0.175
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d9e
RMSD bond length	0.007
RMSD bond angle	0.950
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1402))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.430	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.139	0.279
Number of reflections	18780
<I/σ(I)>	25.84	14.66
Completeness [%]	99.9	96.9
Redundancy	27.7	27.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	277	0.1 M HEPES, pH 7.5, 10% w/v polyethylene glycol (PEG) 6,000, 5% v/v (+/-)-2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, HANGING DROP, temperature 277K