7RJP

Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with SHMT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	43.043, 51.560, 57.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.070 - 1.250
R-factor	0.1497
Rwork	0.148
R-free	0.17380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mxf
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_3940)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.170
High resolution limit [Å]	1.150	3.120	1.150
Rmerge	0.088	0.041	0.422
Rmeas	0.095	0.045	0.456
Rpim	0.036	0.019	0.172
Total number of observations	324543
Number of reflections	45981	2359	2283
<I/σ(I)>	9.6
Completeness [%]	99.7	94	99.9
Redundancy	7.1	5.9	6.9
CC(1/2)		0.997	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	25% w/v PEG3350, 0.2 M ammonium acetate, 0.1 M Bis-Tris