6XJ0

Crystal structure of multi-copper oxidase from Pediococcus pentosaceus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9202
Spacegroup name	P 32 2 1
Unit cell lengths	127.370, 127.370, 75.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	110.310 - 2.340
R-factor	0.18399
Rwork	0.182
R-free	0.22256
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.856
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.310	2.400
High resolution limit [Å]	2.340	2.340
Rmerge	0.335	0.707
Number of reflections	29876	2116
<I/σ(I)>	4.47
Completeness [%]	99.4	96.3
Redundancy	4.73
CC(1/2)	0.955	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	Crystallization screening accomplished using combinatorial crystallization strategy. Separate libraries of precipitants, buffers, and additives were combinatorially combined with protein (11 mg/mL protein in 10 mM Tris-HCL pH 7.0) in situ on the crystallization plate. Final concentrations of mother liquor: Buffer: 83 mM Sodium Citrate pH 4.0 Additives: 670 mM lithium sulfate, 8 mM L-glutamine, 8 mM L-Aspartic acid, 8 mM glycine, 8 mM trans-4-hydroxy-L-proline. Reservoir solution:Precipitant: 2 M lithium sulfate Crystals only grow on Mylar surface (many surfaces were tested).