6V75

Crystal Structure of Human PKM2 in Complex with L-aspartate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-02-28
Detector	RDI CMOS_8M
Wavelength(s)	1.000030
Spacegroup name	P 1 21 1
Unit cell lengths	82.523, 157.955, 93.031
Unit cell angles	90.00, 101.08, 90.00

Refinement procedure

Resolution	55.520 - 2.850
R-factor	0.2482
Rwork	0.246
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nu1
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.542	56.542	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge		0.015	0.596
Rmeas	0.087	0.021	0.900
Rpim	0.045	0.011	0.482
Total number of observations	197364	6286	26617
Number of reflections	54344	1724	7939
<I/σ(I)>	14.8	55.4	1.7
Completeness [%]	99.6	96.8	99.9
Redundancy	3.6	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M NaBr, 0.1 M Bis-Tris propane, 18% PEG 3350