6VOX

Crystal structure of multi-copper oxidase from Pseudomonas Parafulva

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	2018-07-06
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9202
Spacegroup name	P 62 2 2
Unit cell lengths	170.350, 170.350, 131.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 3.800
R-factor	0.25802
Rwork	0.258
R-free	0.27404
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vow
RMSD bond length	0.015
RMSD bond angle	1.984
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]	50.000	3.900
High resolution limit [Å]	3.800	3.800
Rmerge	0.290	2.578
Number of reflections	10690	635
<I/σ(I)>	8.38
Completeness [%]	92.3
Redundancy	29.33
CC(1/2)	0.997	0.258

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	288	Crystallized in plastic sitting drop trays, 30 nl of protein (concentration 10 mg/mL) combined with 30 nl precipitant: 0.0425 M BICINE pH 9.0 0.0425 M Sodium chloride 8.5% v/v Polyethylene glycol monomethyl ether 550 7.5% v/v Glycerol Solution was equilibrated against a reservoir of 60% PEG 3350.