6PH2

Complete LOV domain from the LOV-HK sensory protein from Brucella abortus (mutant C69S, construct 15-155)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	66.270, 95.860, 107.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 2.340
R-factor	0.22909
Rwork	0.227
R-free	0.26071
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t50
RMSD bond length	0.009
RMSD bond angle	1.274
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	2.490
High resolution limit [Å]	2.340	2.340
Rmeas	0.154	0.624
Number of reflections	29308	4523
<I/σ(I)>	11.6	3.3
Completeness [%]	99.4	96.7
Redundancy	7.1	7.1
CC(1/2)	0.997	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	294	15% (w/v) PEG 3350 + 0.1 M sodium citrate, pH 5.2