8A7H

Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (light state; asymmetrical variant, trigonal form with long c axis)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	139.420, 139.420, 89.881
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.640 - 3.145
R-factor	0.2574
Rwork	0.253
R-free	0.30560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292121855
RMSD bond length	0.005
RMSD bond angle	0.861
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19rc6_4061)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.640	3.336
High resolution limit [Å]	3.145	3.145
Rmerge	0.163
Rmeas	0.168
Rpim	0.038	0.610
Number of reflections	12416	621
<I/σ(I)>	12.5	1.5
Completeness [%]	69.6	21.6
Redundancy	19.7
CC(1/2)	0.996	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.3	292.15	18% PEG3300, 0.1M Bicine, 0.2M LiSO4, 1mM ATP, 2mM MgCl2