4JR8

Crystal structure of cruxrhodopsin-3 from Haloarcula vallismortis at 2.3 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	106.210, 106.210, 60.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.254
Rwork	0.245
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iw6
RMSD bond length	0.006
RMSD bond angle	1.070
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.448
Number of reflections	15610
<I/σ(I)>	21.2	4.4
Completeness [%]	90.0	92.4
Redundancy	5.9	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	288	2.1M ammonium sulfate, 0.1M sodium citrate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K