5O5H

Crystal structure of the human BRPF1 bromodomain in complex with BZ053

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	2016-03-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	P 32 2 1
Unit cell lengths	61.027, 61.027, 63.787
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.697 - 1.850
R-factor	0.1944
Rwork	0.190
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lc2
RMSD bond length	0.008
RMSD bond angle	1.098
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]	40.700	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.041	0.640
Rpim	0.014	0.212
Number of reflections	12134	740
<I/σ(I)>	43.9	5.4
Completeness [%]	100.0	100
Redundancy	18.6	19.2
CC(1/2)	1.000	0.955

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