8A52

Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c-axis)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97901
Spacegroup name	P 31 2 1
Unit cell lengths	138.246, 138.246, 94.990
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.252 - 2.461
R-factor	0.2457
Rwork	0.243
R-free	0.29520
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.760
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXD
Refinement software	PHENIX (1.19rc6_4061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.252	2.639
High resolution limit [Å]	2.461	2.461
Rmerge	0.102	1.622
Rmeas	0.105
Rpim	0.024	0.554
Number of reflections	27319	1387
<I/σ(I)>	24.3	1.4
Completeness [%]	71.3	19.4
Redundancy	18.5	9.3
CC(1/2)	0.999	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.15	292.15	6% PEG8K, 0.1M Na Citrate, 0.2M NaCl, 1mM ATP, 2mM MgCl2