6NU1

Crystal Structure of Human PKM2 in Complex with L-cysteine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	81.829, 155.918, 94.136
Unit cell angles	90.00, 103.51, 90.00

Refinement procedure

Resolution	24.700 - 2.250
R-factor	0.193
Rwork	0.191
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b2d 3srh
RMSD bond length	0.003
RMSD bond angle	0.602
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.087	0.465
Rmeas	0.127	0.619
Rpim	0.067	0.319
Number of reflections	106086	15672
<I/σ(I)>	10.2	3.5
Completeness [%]	97.7	99.2
Redundancy	3.7	3.7
CC(1/2)	0.993	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2 M SODIUM THIOCYANATE, 100 mM BIS-TRIS PROPANE, 16-20% PEG 3350, 0.2 M NDSB-221