6NN4

The structure of human liver pyruvate kinase, hLPYK-D499N, in complex with Fru-1,6-BP

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	2017-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 2
Unit cell lengths	120.572, 204.662, 112.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.437 - 2.150
R-factor	0.2307
Rwork	0.230
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ip7
RMSD bond length	0.011
RMSD bond angle	1.142
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]	39.440	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	149968
<I/σ(I)>	10.4
Completeness [%]	99.0
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M ammonium citrate dibasic, 20% PEG3350