6S6C

Ground state structure of Archaerhodopsin-3 at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96862
Spacegroup name	P 21 21 21
Unit cell lengths	44.669, 47.357, 104.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.100 - 1.070
R-factor	0.1587
Rwork	0.158
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uaz
RMSD bond length	0.004
RMSD bond angle	1.205
Data reduction software	DIALS (1.10.1)
Data scaling software	Aimless
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.100	1.090
High resolution limit [Å]	1.070	1.070
Rmeas	0.208	0.179
Rpim	0.044	1.717
Number of reflections	98595	4610
<I/σ(I)>	9.2	0.4
Completeness [%]	99.8	94.8
Redundancy	22.8	15.1
CC(1/2)	0.999	0.179

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	293	100mM MES pH 5.5, 33% PEG 600, 150mM Na chloride, 150mM Ca chloride