6KO2

Crystal Structure of BRD4-Brmo2 in complex with H2A.ZK4acK7ac peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	59.219, 73.907, 32.361
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.345 - 1.500
R-factor	0.1564
Rwork	0.155
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.041	0.035	0.082
Rmeas	0.044	0.039	0.090
Rpim	0.016	0.016	0.034
Total number of observations	172065
Number of reflections	22898	1084	1132
<I/σ(I)>	34.8
Completeness [%]	98.0	83.3	98.3
Redundancy	7.5	5.9	7.8
CC(1/2)		0.998	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.1M Amino acids, 0.1M Buffer System 3, 50% v/v Precipitant Mix 4 (morpheus)