8B5B

Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri)

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	2020-11-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000029
Spacegroup name	P 21 21 21
Unit cell lengths	39.508, 51.780, 170.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 1.920
R-factor	0.1989
Rwork	0.197
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oss
RMSD bond length	0.003
RMSD bond angle	0.572
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]	44.300	2.040
High resolution limit [Å]	1.920	1.920
Number of reflections	27441	4283
<I/σ(I)>	10.85
Completeness [%]	99.1
Redundancy	7.6
CC(1/2)	0.997	0.620

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