6PGS

Crystal structure of bovine opsin with geraniol bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	173
Detector technology	PIXEL
Collection date	2015-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	243.919, 243.919, 109.732
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.206 - 2.905
R-factor	0.2135
Rwork	0.212
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j4q
RMSD bond length	0.002
RMSD bond angle	0.552
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.300	3.070
High resolution limit [Å]	2.890	2.890
Rmerge	0.079	1.019
Rmeas	0.086	1.142
Rpim	0.034	0.509
Number of reflections	27357	4495
<I/σ(I)>	16.7	2.2
Completeness [%]	99.3	100
Redundancy	6.1	9.7
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	3.1-3.3M ammonium sulfate, 0.1M sodium acetate buffer, pH 5.5