9F1W

SFX room temperature structure of Oscillatoria acuminata adenylyate cyclase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-10-26
Detector	AGIPD
Wavelength(s)	1.33
Spacegroup name	P 21 21 2
Unit cell lengths	102.900, 54.910, 72.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.530 - 1.750
R-factor	0.1949
Rwork	0.194
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.879
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	42444	2694
<I/σ(I)>	7.4	1.1
Completeness [%]	100.0
Redundancy	453
CC(1/2)	0.991	0.587

Crystallization Conditions

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