3AYN

Crystal structure of squid isorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 62
Unit cell lengths	122.540, 122.540, 158.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.700
Rwork	0.180
R-free	0.20040
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.260	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.086	0.527
Number of reflections	36893
<I/σ(I)>	10.9	2.6
Completeness [%]	99.7	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	3.2M ammonium sulfate, 20mM MES, 50mM EDTA, 10mM beta-mercaptoethanol , pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K