8EQ3

Escherichia coli pyruvate kinase A301T

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	2012-03-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	75.219, 247.074, 130.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.850 - 2.010
R-factor	0.164
Rwork	0.162
R-free	0.19820
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]	55.850	2.082
High resolution limit [Å]	2.010	2.010
Rmerge	0.042	0.324
Number of reflections	80594	7347
<I/σ(I)>	13.63	1.8
Completeness [%]	99.1
Redundancy	2
CC(1/2)	0.998	0.753

Crystallization Conditions

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