4KGD

High-resolution crystal structure of pyruvate oxidase from L. plantarum in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979200
Spacegroup name	C 2 2 21
Unit cell lengths	119.280, 154.160, 165.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.060
R-factor	0.1271
Rwork	0.127
R-free	0.15050
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4fee
RMSD bond length	0.015
RMSD bond angle	310.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	50.000	1.130
High resolution limit [Å]	1.060	17.000	1.060
Rmerge	0.070	0.030	0.520
Number of reflections	645341	110	116859
<I/σ(I)>	9.68	27.81	2.21
Completeness [%]	94.9	56.7	93.2
Redundancy	3.38

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, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 280K