8EDR

E. 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	2013-10-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	73.539, 241.974, 133.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.830 - 2.640
R-factor	0.1962
Rwork	0.193
R-free	0.23420
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]	41.830	2.734
High resolution limit [Å]	2.640	2.640
Rmerge	0.037	0.322
Number of reflections	33761	2381
<I/σ(I)>	19.78	2.42
Completeness [%]	94.8
Redundancy	1.9
CC(1/2)	0.998	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12M (0.3M Diethylene glycol; 0.3M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3M Pentaethylene glycol), 0.1M (1.0M Imidazole; MES monohydrate (acid)), 30% v/v (40% v/v Ethylene glycol; 20 % w/v PEG 8000)