6EKQ

Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2

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	2017-09-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.999989
Spacegroup name	C 1 2 1
Unit cell lengths	71.208, 57.784, 70.446
Unit cell angles	90.00, 108.66, 90.00

Refinement procedure

Resolution	43.886 - 1.650
R-factor	0.1584
Rwork	0.157
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lc2
RMSD bond length	0.009
RMSD bond angle	1.033
Data reduction software	Mantid
Data scaling software	ADDREF
Phasing software	MOLREP
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.890	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.046	0.345
Number of reflections	32602	1588
<I/σ(I)>	18	3.4
Completeness [%]	99.7	100
Redundancy	4.6	4.2
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 pH9, 10% EG, 0.15M NaNO3, 25% PEG3350