8EDS

Escherichia coli pyruvate kinase (PykF) P70Q

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	2013-09-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	76.848, 244.357, 131.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.800 - 2.100
R-factor	0.2049
Rwork	0.204
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yng
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.039	0.342
Number of reflections	72182	6936
<I/σ(I)>	16.28	2.7
Completeness [%]	99.3	96.64
Redundancy	1.9
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M (0.2M DL-Glutamic acid monohydrate; 0.2M DL-Alanine; 0.2M Glycine; 0.2M DL-Lysine monohydrochloride; 0.2M DL-Serine), 0.1M (1.0M Imidazole; MES monohydrate (acid)), 30% (40% v/v Glycerol; 20% w/v PEG 4000)