6PPS

A blue light illuminated LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (construct 15-273)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-23
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	110.187, 56.892, 116.054
Unit cell angles	90.00, 103.16, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.209
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t50
RMSD bond length	0.002
RMSD bond angle	0.532
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.114
Rmeas	0.128	1.542
Rpim	0.056	0.685
Number of reflections	35284	3187
<I/σ(I)>	16.85
Completeness [%]	99.6
Redundancy	4.9
CC(1/2)		0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% (w/v) PEG 4000, 0.2 M lithium sulfate, 0.1 M Tris-HCl, pH 7.5