6HAF

Pyruvate oxidase variant E59Q from L. plantarum in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.82656
Spacegroup name	C 2 2 21
Unit cell lengths	119.180, 154.350, 165.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.359 - 1.300
R-factor	0.1353
Rwork	0.134
R-free	0.15600
RMSD bond length	0.011
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.359	50.000	1.400
High resolution limit [Å]	1.300	48.359	1.300
Rmerge	0.094		0.696
Rmeas	0.106		0.783
Number of reflections	369535		73234
<I/σ(I)>	10.09		2.12
Completeness [%]	99.8		99.9
Redundancy	4.746		4.784
CC(1/2)	0.998		0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	280	1.5 M ammonium sulfate, 200 mM phosphate, 0.1 mM thiamine diphosphate, 1 mM magnesium chloride