7AVP

Crystal structure of marine actinobacteria clade rhodopsin (MAR) in the O state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97242
Spacegroup name	P 1 2 1
Unit cell lengths	50.633, 40.417, 60.428
Unit cell angles	90.00, 101.37, 90.00

Refinement procedure

Resolution	59.240 - 1.090
R-factor	0.1342
Rwork	0.133
R-free	0.15260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jsi
RMSD bond length	0.008
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.241	1.181
High resolution limit [Å]	1.076	1.076
Rpim	0.024	0.364
Number of reflections	71975	3599
<I/σ(I)>	13.74	1.91
Completeness [%]	89.9
Redundancy	13.1
CC(1/2)	0.990	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	10% PEG 6000 140 mM NaCl 0.1M NaAcetate pH 4.6