7UU0

Crystal structure of the BRD2-BD2 in complex with a ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	32.309, 52.526, 71.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.270 - 1.300
R-factor	0.1417
Rwork	0.140
R-free	0.17000
Structure solution method	FOURIER SYNTHESIS
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.530	52.530	1.320
High resolution limit [Å]	1.300	7.110	1.300
Rmerge	0.048	0.020	0.445
Rmeas	0.054	0.023	0.507
Rpim	0.024	0.011	0.239
Total number of observations	143181	974	6220
Number of reflections	30368	222	1438
<I/σ(I)>	17.8	59.1	2.8
Completeness [%]	99.2	95.3	95.6
Redundancy	4.7	4.4	4.3
CC(1/2)	0.999	1.000	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M sodium acetate 20% polyethylene glycol 3350