7EU9

Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	127.064, 141.577, 208.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.630 - 2.350
R-factor	0.2297
Rwork	0.228
R-free	0.26800
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.433
Data reduction software	xia2 (0.5.898)
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX (1.13-2998)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.140	0.969
Number of reflections	78375	11343
<I/σ(I)>	9.4
Completeness [%]	100.0
Redundancy	13.2
CC(1/2)	0.997	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M sodium citrate (pH 5.6), 17% (w/v) Polyethylene glycol 3350, 0.1 M sodium citrate