8XX8

Structure of Glycilhalorhodopsin from Salinarimonas soli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-05
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0520
Spacegroup name	P 1 21 1
Unit cell lengths	90.220, 126.180, 97.610
Unit cell angles	90.00, 104.77, 90.00

Refinement procedure

Resolution	47.190 - 2.630
R-factor	0.21
Rwork	0.209
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.060	48.060	2.720
High resolution limit [Å]	2.630	5.560	2.630
Rmerge	0.175	0.067	0.773
Rmeas	0.184	0.070	0.848
Rpim	0.057	0.021	0.416
Number of reflections	123100	6382	6240
<I/σ(I)>	9.4	23.3	1.5
Completeness [%]	99.9	99.97	99.27
Redundancy	10.1	11.55	3.97
CC(1/2)		0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	296	Li2SO4, NaCl, HEPES, PEG-200