5OYH

crystal structure of the catalytic core of a rhodopsin-guanylyl cyclase with converted specificity in complex with ATPalphaS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	I 41
Unit cell lengths	193.283, 193.283, 225.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.897 - 2.249
R-factor	0.1829
Rwork	0.182
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	0.938
Data reduction software	XDS
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.918	48.918	2.370
High resolution limit [Å]	2.240	6.660	2.240
Rmerge	0.117	0.026	1.003
Rmeas	0.125	0.028	1.074
Total number of observations	1530638
Number of reflections	197393	7511	31749
<I/σ(I)>	15.17	52.3	2.04
Completeness [%]	99.7	98.5	99.6
Redundancy	7.754	7.458	7.857
CC(1/2)	0.999	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2M Potassium thiocyanate 0.1M Sodium cacodylate pH 6.5 25% w/v PEG 2000 mme