6PH3

LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	108.420, 56.930, 114.600
Unit cell angles	90.00, 103.36, 90.00

Refinement procedure

Resolution	47.700 - 2.740
R-factor	0.227
Rwork	0.224
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t50
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.900
High resolution limit [Å]	2.740	2.740
Rmeas	0.130	0.910
Number of reflections	36012	5428
<I/σ(I)>	10.4	1.6
Completeness [%]	98.8	93.2
Redundancy	6.9	6.7
CC(1/2)	0.998	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	14% (w/v) PEG 4000 + 0.2 M lithium sulfate + 0.1 M Tris-HCl, pH 7.5