6JI5

brd4-bd1 bound with ligand 167

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	2015-12-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	33.449, 48.146, 79.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.624 - 2.000
R-factor	0.2038
Rwork	0.200
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xi3
RMSD bond length	0.008
RMSD bond angle	1.204
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.624	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.164	0.361
Number of reflections	8224	991
<I/σ(I)>	18.4
Completeness [%]	90.2
Redundancy	4.2

Crystallization Conditions

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