5XI2

BRD4 bound with compound Bdi2

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	2016-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	34.713, 47.555, 77.923
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.590 - 1.909
R-factor	0.1994
Rwork	0.197
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.927
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.590
High resolution limit [Å]	1.909
Number of reflections	10305
<I/σ(I)>	13.73
Completeness [%]	98.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.5M NAFORMATE, 5% GLYCEROL