9RDF

Liver Pyruvate kinase in complex with a phthalazine-based fluorescent probe IV

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	200.183, 97.584, 136.398
Unit cell angles	90.00, 118.53, 90.00

Refinement procedure

Resolution	78.650 - 1.620
R-factor	0.238
Rwork	0.238
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (10-JUL-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.650	1.650
High resolution limit [Å]	1.618	1.620
Rmerge	0.090	3.861
Rmeas	0.098	4.174
Rpim	0.037	1.571
Total number of observations		98680
Number of reflections	292837	14270
<I/σ(I)>	10.9	0.3
Completeness [%]	99.9
Redundancy	7	6.9
CC(1/2)	0.979	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.5 %w/v VitMix (Additive); 0.12 M Monosacc (Complex ingredient); 0.1 M MB1 6.5 pH (Buffer); 37.5 %v/v PptMix4 (Precipitant)