8COT

Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962

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	2019-01-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 63
Unit cell lengths	99.314, 99.314, 98.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.670 - 2.100
R-factor	0.1939
Rwork	0.192
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.670	2.170
High resolution limit [Å]	2.100	2.100
Rmeas	0.138
Number of reflections	32328	3183
<I/σ(I)>	13.6
Completeness [%]	99.8
Redundancy	8.3
CC(1/2)	0.998	0.270

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.2 M tripotassium citrate, 20%(w/v) PEG 3350