9F1Y

Crystal structure of Oscillatoria acuminata adenylyate cyclase at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	101.284, 53.455, 71.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.270 - 1.950
R-factor	0.1995
Rwork	0.198
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.270	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.079	1.225
Rmeas	0.086	1.331
Rpim	0.034	0.514
Total number of observations	186652	13233
Number of reflections	29158	2022
<I/σ(I)>	14.5	1.6
Completeness [%]	99.9
Redundancy	6.4	6.5
CC(1/2)	0.999	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.06 M divalents, 0.1 M Tris-Bicine, 30% v/v PEG550 MME-PEG20000