6VOW

Crystal structure of multi-copper oxidase from Pseudomonas Thermotolerans

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 EIGER2 X 9M
Wavelength(s)	0.9202
Spacegroup name	C 1 2 1
Unit cell lengths	135.110, 68.840, 49.520
Unit cell angles	90.00, 93.05, 90.00

Refinement procedure

Resolution	30.000 - 1.920
R-factor	0.16632
Rwork	0.163
R-free	0.23164
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7k
RMSD bond length	0.024
RMSD bond angle	2.408
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	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.420	0.502
Number of reflections	31326	1659
<I/σ(I)>	7.17
Completeness [%]	90.2
Redundancy	19.36
CC(1/2)	0.958	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	Crystallized in plastic sitting drop trays, 30 nl of protein (concentration 10 mg/mL) combined with 30 nl precipitant: 0.10 M Ammonium acetate 10 %(w/v) PEG 3350 Solution was equilibrated against a reservoir of 60% PEG 3350.