8H92

Ziziphus jujuba adenylyl cyclase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	66.840, 84.578, 95.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.570 - 2.600
R-factor	0.201
Rwork	0.198
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a5y
RMSD bond length	0.011
RMSD bond angle	1.656
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.171	1.234
Rpim	0.059	0.367
Number of reflections	17244	850
<I/σ(I)>	12.3	9.2
Completeness [%]	100.0
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	ammonium sulfate