7D2L

Crystal structure of the 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	2019-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	129.192, 142.644, 209.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.030 - 2.750
R-factor	0.2154
Rwork	0.213
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	the selenomethionine (SeMet)-labeled complex
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHENIX (1.13-2998)
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.030	2.840
High resolution limit [Å]	2.750	2.750
Rmerge	0.070	0.761
Number of reflections	50543	4567
<I/σ(I)>	24.3
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.998	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M sodium citrate (pH5.5), PEG3350 (18%), 0.1M sodium citrate