6FHT

Crystal structure of an artificial phytochrome regulated adenylate/guanylate cyclase in its dark adapted Pr form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	C 1 2 1
Unit cell lengths	286.190, 108.820, 67.990
Unit cell angles	90.00, 100.84, 90.00

Refinement procedure

Resolution	46.847 - 2.350
R-factor	0.182
Rwork	0.180
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o0p 2w01
RMSD bond length	0.008
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.847	46.847	2.450
High resolution limit [Å]	2.350	10.000	2.350
Rmerge	0.089	0.037	0.983
Rmeas	0.096	0.040	1.069
Number of reflections	82012	1131	7967
<I/σ(I)>	13.78	37.28	1.96
Completeness [%]	96.1	96.8	80.1
Redundancy	6.77	6.025	6.48
CC(1/2)	0.998	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M bis-Tris (pH 5.5), 1 M ammonium sulfate, 1 % (w/v) polyethylene glycol 3,350