4Z12

Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with hexatungstotellurate(VI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0247
Spacegroup name	P 1 21 1
Unit cell lengths	52.990, 110.410, 94.990
Unit cell angles	90.00, 95.76, 90.00

Refinement procedure

Resolution	48.140 - 1.850
R-factor	0.1733
Rwork	0.172
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z0y
RMSD bond length	0.010
RMSD bond angle	0.986
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.118	2.729
Number of reflections	90855
<I/σ(I)>	8.3	0.6
Completeness [%]	98.1	96.93
Redundancy	4.57	4.76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% PEG 4000, 1 mM hexatungstotellurate(VI), 60 mM sodium citrate, pH 6.4