5O5A

Crystal structure of the human BRPF1 bromodomain in complex with BZ032

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000020
Spacegroup name	P 32 2 1
Unit cell lengths	60.693, 60.693, 63.044
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.370 - 1.600
R-factor	0.1802
Rwork	0.178
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lc2
RMSD bond length	0.010
RMSD bond angle	0.886
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.370	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.043	0.633
Number of reflections	18144	900
<I/σ(I)>	25.5	3.7
Completeness [%]	99.9	100
Redundancy	10.6	10.1
CC(1/2)	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Bis-tris propane, pH6.5, 0.2 M Sodium nitrate, 20% PEG3350