6V74

Crystal Structure of Human PKM2 in Complex with L-asparagine

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	2017-09-15
Detector	RDI CMOS_8M
Wavelength(s)	1.000030
Spacegroup name	P 1 21 1
Unit cell lengths	80.990, 154.580, 92.150
Unit cell angles	90.00, 102.54, 90.00

Refinement procedure

Resolution	58.620 - 2.320
R-factor	0.2349
Rwork	0.233
R-free	0.27480
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]	77.747	77.747	2.450
High resolution limit [Å]	2.320	7.340	2.320
Rmerge		0.020	0.584
Rmeas	0.070	0.024	0.722
Rpim	0.026	0.009	0.292
Total number of observations	632664	22601	72775
Number of reflections	92793	3064	12554
<I/σ(I)>	19.9	60.8	2.4
Completeness [%]	97.2	98.9	90.2
Redundancy	6.8	7.4	5.8

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, 20% PEG 3350