8A7F

Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (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	2016-06-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	138.530, 138.530, 96.894
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.340 - 2.710
R-factor	0.2296
Rwork	0.228
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8a6x
RMSD bond length	0.004
RMSD bond angle	0.761
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]	45.345	2.926
High resolution limit [Å]	2.710	2.710
Rmerge	0.069	1.078
Rmeas	0.075	1.216
Rpim	0.029	0.555
Number of reflections	16593	831
<I/σ(I)>	13.4	1.4
Completeness [%]	56.1
Redundancy	6.3
CC(1/2)	1.000	0.403

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	292.15	9% PEG8K, 0.1M Na-Citrate, 0.2M NaCl, 1mM ATP, 2mM MgCl2