6LTR

Crystal structure of Cas12i2 ternary complex with single Mg2+ bound in catalytic pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9999
Spacegroup name	C 2 2 21
Unit cell lengths	93.256, 123.025, 280.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.740 - 2.510
R-factor	0.199
Rwork	0.198
R-free	0.22600
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.134
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	2.545
High resolution limit [Å]	2.500	2.500
Rmerge	0.054	0.353
Rmeas	0.058	0.391
Rpim	0.022	0.165
Number of reflections	55232	2586
<I/σ(I)>	31.6	4.2
Completeness [%]	99.0	94.8
Redundancy	9.48	5.1
CC(1/2)	0.992	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	289	0.2 M Ammonium acetate, 20% PEG 3350