9RCM

Laccase (multicopper oxidase) from Pediococcus pentosaceus 4618 mutant E451L co-crystallized with Copper Chloride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	180
Detector technology	PIXEL
Collection date	2019-12-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97917
Spacegroup name	P 32 2 1
Unit cell lengths	126.524, 126.524, 74.027
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.140 - 2.000
R-factor	0.2107
Rwork	0.209
R-free	0.23774
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.243
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.166	1.138
Rmeas	0.173	1.188
Rpim	0.050	0.340
Total number of observations		40942
Number of reflections	46387	3399
<I/σ(I)>	9.2	2.3
Completeness [%]	100.0
Redundancy	11.7	12
CC(1/2)	0.996	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	1.6M Ammonium Sulphate 1M Lithium Sulphate