8EDQ

E. coli pyruvate kinase (PykF) I264F

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	2013-10-23
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	74.870, 244.931, 134.284
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.240 - 2.880
R-factor	0.2058
Rwork	0.202
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yng
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.240	2.983
High resolution limit [Å]	2.880	2.880
Rmerge	0.078	0.343
Number of reflections	28406	2804
<I/σ(I)>	13.05	2.66
Completeness [%]	99.8	99.43
Redundancy	1.9
CC(1/2)	0.990	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium formate, 0.1 M Bis-Tris propane, 20 % w/v PEG 3350