8B5C

Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri)

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	2020-12-21
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999867
Spacegroup name	P 21 21 21
Unit cell lengths	42.527, 46.748, 58.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.620 - 1.580
R-factor	0.1863
Rwork	0.184
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.670
High resolution limit [Å]	1.580	1.580
Number of reflections	16702	2628
<I/σ(I)>	11.47
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.999	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	200 mM sodium acetate trihydrate 100 mM Trishydrochloride pH 8.5 30% w/v PEG 4000