6JI4

brd4-bd1 bound with ligand 138

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	2016-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	35.310, 47.649, 77.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.600 - 1.600
R-factor	0.2048
Rwork	0.203
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xi3
RMSD bond length	0.006
RMSD bond angle	0.932
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]	40.600	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.163	0.427
Number of reflections	17478	2554
<I/σ(I)>	16.4
Completeness [%]	99.7
Redundancy	7

Crystallization Conditions

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