7ENM

Selenomethionine anti-Cas protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	35.245, 40.703, 66.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.692 - 1.696
R-factor	0.1768
Rwork	0.174
R-free	0.20250
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.696	4.190	1.700
Rmerge	0.201	0.079	0.946
Rmeas	0.208	0.081	0.987
Rpim	0.051	0.017	0.275
Number of reflections	18391	826	689
<I/σ(I)>	8.8
Completeness [%]	97.7	99	97.6
Redundancy	15.4	20	12.1
CC(1/2)		0.999	0.287

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	PEG 4000, Sodium cacodylate