7XF0

Crystal strucutre of CasDinG in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	I 1 2 1
Unit cell lengths	135.546, 72.095, 224.230
Unit cell angles	90.00, 90.84, 90.00

Refinement procedure

Resolution	38.910 - 3.100
R-factor	0.2253
Rwork	0.224
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fwr
Data scaling software	DIALS (0.7.1)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.910	38.910	3.230
High resolution limit [Å]	3.100	11.180	3.100
Rmerge	0.166	0.084	1.000
Rmeas	0.180	0.092	1.079
Rpim	0.069	0.036	0.403
Total number of observations	267256	5697	31362
Number of reflections	39721	889	4432
<I/σ(I)>	9	17	3
Completeness [%]	99.9	97.7	100
Redundancy	6.7	6.4	7.1
CC(1/2)	0.992	0.988	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	8% PEG 6000, 0.1M HEPES 7.4