7JKX

Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with YF3-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-22
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	39.049, 44.227, 79.121
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.530 - 1.200
R-factor	0.1844
Rwork	0.183
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxf
RMSD bond length	0.015
RMSD bond angle	1.903
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.530	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.036	0.193
Rmeas	0.039	0.210
Rpim	0.016	0.082
Number of reflections	43497	2082
<I/σ(I)>	28.5	7.4
Completeness [%]	99.6	97.2
Redundancy	7	6.3
CC(1/2)	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.2M LiSO4, 0.1M Tris-HCl pH 8.5, 16-20% PEG 4000