7OO1

Structure, function and characterization of a second pyruvate kinase isozyme in Pseudomonas aeruginosa.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	P 3 2 1
Unit cell lengths	169.049, 169.049, 115.106
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	73.200 - 3.010
R-factor	0.2468
Rwork	0.245
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	115.140	115.140	3.090
High resolution limit [Å]	3.009	13.460	3.009
Rmerge	0.139	0.050	3.167
Rmeas	0.140	0.051	3.243
Rpim	0.020	0.007	0.696
Number of reflections	37859	485	2740
<I/σ(I)>	16.3
Completeness [%]	100.0	99.8	100
Redundancy	46.8	45.6	21.5
CC(1/2)	1.000	1.000	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% (w/v) PEG6000 and 0.1 M Hepes