5O4S

Crystal structure of the human BRPF1 bromodomain in complex with BZ135

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	2017-02-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	48.700, 62.690, 48.820
Unit cell angles	90.00, 101.81, 90.00

Refinement procedure

Resolution	38.000 - 1.750
R-factor	0.181
Rwork	0.178
R-free	0.22070
Starting model (for MR)	4lc2
RMSD bond length	0.006
RMSD bond angle	0.722
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.151	0.730
Number of reflections	29072	1578
<I/σ(I)>	22.6	4.1
Completeness [%]	99.9	99.4
Redundancy	13.2	12.9
CC(1/2)	0.985	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	0.1 M Bis-tris propane, pH6.5, 0.15 M Sodium Nitrate, 20% PEG3350