7USK

BRD4-BD2 Ligand free

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2021-12-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	59.785, 73.054, 32.309
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.450 - 1.220
R-factor	0.2136
Rwork	0.213
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uf0
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.450	1.264
High resolution limit [Å]	1.220	1.220
Rmerge	0.077
Rpim	0.036
Number of reflections	41150	4226
<I/σ(I)>	37.9
Completeness [%]	95.8
Redundancy	4.8
CC(1/2)	0.999	0.832

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289.15	0.1 M HEPES pH 7.5, 28 % w/v PEG 3350