7FRY

Structure of liver pyruvate kinase in complex with allosteric modulator 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.000032
Spacegroup name	C 1 2 1
Unit cell lengths	209.386, 113.888, 189.794
Unit cell angles	90.00, 90.54, 90.00

Refinement procedure

Resolution	104.690 - 1.958
R-factor	0.2018
Rwork	0.201
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.920
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (16-JUL-2021))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.688	104.688	2.208
High resolution limit [Å]	1.958	6.207	1.958
Rmerge	0.096	0.045	1.127
Rpim	0.039	0.018	0.456
Total number of observations	1429316
Number of reflections	204303	10214	10215
<I/σ(I)>	11	27.7	1.8
Completeness [%]	94.2
Redundancy	7	6.6	7
CC(1/2)	0.997	0.997	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	100 mM HEPES/MOPS, 10% PEG8000, 20% ethylene glycol, 10 mM phenylalanine, 20 mM sodium oxalate