5O55

Crystal structure of the human BRPF1 bromodomain in complex with BZ047

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	2016-10-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999989
Spacegroup name	P 32 2 1
Unit cell lengths	60.695, 60.695, 63.147
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.353 - 1.450
R-factor	0.1793
Rwork	0.177
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lc2
RMSD bond length	0.008
RMSD bond angle	0.755
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.570	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.031	0.468
Number of reflections	24259	3462
<I/σ(I)>	31.2
Completeness [%]	99.8	99
Redundancy	9.4	8.1
CC(1/2)	1.000	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M Bis-tris propane, pH6.5, 0.15 M Sodium Nitrate, 20% PEG3350