9F1Z

Crystal structure of adenylyate cyclase variant Y6W

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	2022-11-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	100.455, 52.684, 71.525
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.660 - 1.950
R-factor	0.1978
Rwork	0.196
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.048
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]	46.660	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.054	1.210
Rmeas	0.063	1.405
Rpim	0.032	0.692
Total number of observations	106179	7386
Number of reflections	27876	1924
<I/σ(I)>	12.8	1.1
Completeness [%]	98.8
Redundancy	3.8	3.8
CC(1/2)	0.996	0.480

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 pH 8.5, 30% v/v PEG550 MME-PEG20000