7CLJ

Crystal structure of Thermoplasmatales archaeon heliorhodopsin E108D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 42 21 2
Unit cell lengths	72.860, 72.860, 115.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.368 - 2.600
Rwork	0.222
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6is6
RMSD bond length	0.005
RMSD bond angle	1.359
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.760
High resolution limit [Å]	2.600	7.580	2.600
Rmeas	0.380	0.121	1.806
Number of reflections	9975	464	1530
<I/σ(I)>	5.36	15.99	1.04
Completeness [%]	99.1	96.5	98.6
Redundancy	7.71	7.26	7.6
CC(1/2)	0.982	0.997	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5	293	25% PEG 350 MME, 100mM Na-citrate, 100mM ammonium sulfate or lithium sulfate