8B5A

Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri)

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	2018-05-11
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99989
Spacegroup name	P 61 2 2
Unit cell lengths	79.610, 79.610, 95.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.730 - 1.920
R-factor	0.2168
Rwork	0.214
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oo1
RMSD bond length	0.004
RMSD bond angle	0.632
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.920	1.920
Number of reflections	14001	1012
<I/σ(I)>	31.84
Completeness [%]	98.9	97.7
Redundancy	25.2
CC(1/2)	1.000	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	200 mM potassium sodium tatrate 100 mM sodium citrate pH 5.6 2 M ammonium sulfate