8EU4

Escherichia coli pyruvate kinase A301S

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	2012-12-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	129.334, 74.473, 240.826
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	48.170 - 2.100
R-factor	0.2037
Rwork	0.202
R-free	0.22360
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]	48.170	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.060
Number of reflections	267878	26557
<I/σ(I)>	11.61	2.16
Completeness [%]	100.0	100
Redundancy	2
CC(1/2)	0.997	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M (Malic acid, MES, Tris), 25 % w/v PEG 1500