6JI3

BRD4-BD1 bound with ligand 103

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	2015-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	35.042, 47.327, 77.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.953 - 2.200
R-factor	0.1992
Rwork	0.196
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xi3
RMSD bond length	0.007
RMSD bond angle	0.905
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.953	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.040	0.064
Number of reflections	6902	998
<I/σ(I)>	16.2
Completeness [%]	93.3
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	3.2-3.8 M NAFORMATE,10% GLYCEROL