8EQ0

Escherichia coli pyruvate kinase G381A

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	2012-10-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	74.513, 247.045, 130.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.090 - 2.620
R-factor	0.2039
Rwork	0.202
R-free	0.23350
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]	48.090	2.716
High resolution limit [Å]	2.620	2.620
Rmerge	0.191
Number of reflections	35719	2799
<I/σ(I)>	7.11	1.78
Completeness [%]	97.8
Redundancy	7.3
CC(1/2)	0.991	0.515

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 Sodium HEPES; 1.0M MOPS (acid)), 30% v/v (40% v/v Glycerol; 20% w/v PEG 4000)