9PD0

Panoptes OptS minimal CRISPR polymerase (mCpol) with non-hydrolyzable ligand ApCpp from Klebsiella pneumoniae strain KP67

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	54.420, 89.534, 104.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.240 - 2.420
R-factor	0.2174
Rwork	0.211
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.359
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.240	2.520
High resolution limit [Å]	2.420	2.420
Rmerge	0.277	1.415
Number of reflections	20062	1411
<I/σ(I)>	11.3
Completeness [%]	100.0
Redundancy	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16% w/v PEG 4000