9RCJ

Laccase (multicopper oxidase) from Pediococcus pentosaceus 4618 mutant M455A-M456A soaked with Copper 20 seconds

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	2024-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.37729
Spacegroup name	P 32 2 1
Unit cell lengths	123.396, 123.396, 180.345
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.390 - 2.450
R-factor	0.19237
Rwork	0.190
R-free	0.23114
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.216
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]	52.450	2.520
High resolution limit [Å]	2.450	2.450
Rmerge	0.196	1.977
Rmeas	0.201	2.031
Rpim	0.045	0.463
Total number of observations		85956
Number of reflections	59007	4565
<I/σ(I)>	13.4	2.4
Completeness [%]	100.0
Redundancy	19.5	18.8
CC(1/2)	0.998	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	294	85% 1 M Ammonium Sulfate, 0.1 M Sodium Acetate pH 4.6 and 15% of another condition with 0.2 Sodium Chloride, 0.1 M Phosphate-citrate pH 4.2 and 20% PEG 8000