7C2Z

Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone

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	2019-11-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	32.230, 47.220, 79.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.245 - 1.300
R-factor	0.1659
Rwork	0.165
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x2i
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.610	40.610	1.320
High resolution limit [Å]	1.300	7.000	1.300
Number of reflections	26154	175	1335
<I/σ(I)>	4.4
Completeness [%]	86.0	73.7
Redundancy	3.5	3
CC(1/2)	0.991	0.983	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	4.0M Sodium Formate