6NN8

The structure of human liver pyruvate kinase, hLPYK-S531E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	94.909, 139.410, 181.286
Unit cell angles	90.00, 103.35, 90.00

Refinement procedure

Resolution	39.538 - 2.416
R-factor	0.2085
Rwork	0.208
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ip7
RMSD bond length	0.013
RMSD bond angle	1.318
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.538	2.460
High resolution limit [Å]	2.416	2.416
Number of reflections	173222
<I/σ(I)>	16.4
Completeness [%]	98.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M ammonium citrate, pH 5.6, 16% PEG3350