3SRD

Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-15
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	95.050, 117.370, 110.460
Unit cell angles	90.00, 113.56, 90.00

Refinement procedure

Resolution	54.180 - 2.902
R-factor	0.25431
Rwork	0.253
R-free	0.27899
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.046
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.700	58.720	2.980
High resolution limit [Å]	2.900	12.980	2.900
Rmerge	0.062	0.015	0.549
Number of reflections	45352
<I/σ(I)>	11.8	1.4	31.8
Completeness [%]	92.0	93	90
Redundancy	2.9	2.8	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	290	10-16% polyethyleneglycol 8000, 20 mM triethanolamine-HCl buffer (pH 7.2), 50 mM MgCl2, 100 mM KCl, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K