7C6P

Bromodomain-containing 4 BD2 in complex with 3',4',7,8- Tetrahydroxyflavonoid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 2 21 21
Unit cell lengths	33.590, 63.010, 70.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.250 - 1.730
R-factor	0.1921
Rwork	0.189
R-free	0.22220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uep
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3235)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.250	8.990
High resolution limit [Å]	1.730	1.730
Number of reflections	16261	16261
<I/σ(I)>	6.3
Completeness [%]	99.9
Redundancy	5.4
CC(1/2)	0.985	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	2. 20 % v/v Polyethylene glycol monomethyl ether 2000, 100 mM Tris PH8.5, 200 mM Trimethylamine N-oxide, 295K