9KJ6

Crystal Structure of SpCas9 ternary complex, amino acids (1242-1263) replaced with Gly-Ser linker

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	88.550, 146.850, 222.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.900 - 3.590
R-factor	0.2301
Rwork	0.228
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f9r
RMSD bond length	0.003
RMSD bond angle	0.502
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	3.718
High resolution limit [Å]	3.590	3.590
Rmerge	0.077	0.863
Rmeas	0.087	0.970
Rpim	0.040	0.434
Number of reflections	34326	3405
<I/σ(I)>	14.18	1.96
Completeness [%]	98.9	99.88
Redundancy	4.5
CC(1/2)	1.000	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295.15	0.07 M HEPES (pH 7.5), 0.18 M potassium acetate, 14% (v/v) PEG 3350