6P58

Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	150
Detector technology	PIXEL
Collection date	2019-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9919
Spacegroup name	P 21 21 21
Unit cell lengths	41.618, 61.052, 116.148
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.828 - 1.499
R-factor	0.161
Rwork	0.159
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4glq
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.800	33.800	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.113	0.034	1.545
Rmeas	0.123	0.037	1.676
Rpim	0.047	0.014	0.641
Total number of observations	320193	3880	24017
Number of reflections	48186	635	3557
<I/σ(I)>	8	26.8	1.2
Completeness [%]	99.8	99.4	100
Redundancy	6.6	6.1	6.8
CC(1/2)	0.998	0.999	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	7.5	298	100mM HEPES pH 7.5, 18% w/v PEG 3350, 200mM MgCl2