9MNR

Panoptes OptS minimal CRISPR polymerase (mCpol) from Klebsiella pneumoniae strain KP67

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	114.170, 39.652, 109.204
Unit cell angles	90.00, 91.99, 90.00

Refinement procedure

Resolution	37.450 - 1.750
R-factor	0.223
Rwork	0.221
R-free	0.25970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.450	1.790
High resolution limit [Å]	1.750	1.750
Rmerge	0.066
Number of reflections	48188	3414
<I/σ(I)>	15.5	0.825
Completeness [%]	98.3	96.09
Redundancy	6.8
CC(1/2)		0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	8% (w/v) PEG 4000