6LTP

Crystal structure of Cas12i2 binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97892
Spacegroup name	P 43
Unit cell lengths	146.309, 146.309, 144.602
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.710 - 3.400
R-factor	0.2086
Rwork	0.207
R-free	0.23020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ltr
RMSD bond length	0.006
RMSD bond angle	1.153
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.460
High resolution limit [Å]	3.400	3.400
Rmerge	0.132	0.684
Rmeas	0.143	0.759
Rpim	0.055	0.323
Number of reflections	41862	2069
<I/σ(I)>	13.3	2.4
Completeness [%]	100.0	100
Redundancy	6.6	5.4
CC(1/2)	0.989	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	0.027 M HEPES pH 7.5, 4 % PEG20K, 0.146 M Na citrate, 0.073 M Tris pH 8.2, 13.87% PEG 3350