8IDH

Bromodomain and Extra-terminal Domain (BET) BRD4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 2
Unit cell lengths	52.591, 71.929, 32.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.030 - 1.570
R-factor	0.2245
Rwork	0.221
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.236
Data scaling software	Aimless (7.1.012)
Phasing software	PHENIX (1.19.2)
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.450	1.660
High resolution limit [Å]	1.570	1.570
Rmerge	0.116	0.462
Rmeas	0.129	0.570
Rpim	0.055	0.325
Total number of observations		2599
Number of reflections	27468	1261
<I/σ(I)>	11.2	3.1
Completeness [%]	88.8
Redundancy	4.9	2.1
CC(1/2)	0.995	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.2M NaCl,0.1M bistris,18-28%PEG3350