3GR4

Activator-Bound Structure of Human Pyruvate Kinase M2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	81.275, 153.206, 93.138
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.208
Rwork	0.208
R-free	0.23100
Starting model (for MR)	isomorphous replacement with pdb entry 3GQY
RMSD bond length	0.015
RMSD bond angle	1.348
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.059	0.026	0.707
Number of reflections	283418
<I/σ(I)>	10.2
Completeness [%]	96.3	99.5	75.2
Redundancy	3.6	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20% PEG3350, 0.2M diammonium tartrate, 0.005M activator, 0.005M ADP, vapor diffusion, temperature 291K