4YNG

Twinned pyruvate kinase from E. coli in the T-state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2011-12-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	130.090, 74.596, 241.634
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	44.131 - 2.280
R-factor	0.2194
Rwork	0.217
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.802
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.320	44.320	2.320
High resolution limit [Å]	2.280	12.490	2.280
Rmerge	0.094	0.035	0.330
Rpim	0.060	0.022	0.256
Total number of observations	671834	4358	21868
Number of reflections	201780
<I/σ(I)>	9.7	17.2	3
Completeness [%]	95.2	95.2	85.6
Redundancy	3.3	3.3	2.5
CC(1/2)	0.994	0.997	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	281	16% w/v PEG8000, 10 mM magnesium sulfate, 10 mM potassium chloride, 100 mM MES/NaOH, 0.02% w/v sodium azide