4QG6

crystal structure of PKM2-Y105E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 31
Unit cell lengths	124.455, 124.455, 257.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.618 - 3.207
R-factor	0.2225
Rwork	0.220
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.385
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.200
Number of reflections	71636
Completeness [%]	98.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2M proline, Hepes pH 7.5, 24% PEG1500, VAPOR DIFFUSION, HANGING DROP, temperature 291K