9RC5

Laccase (multicopper oxidase) from Pediococcus pentosaceus 4618 mutant E451L co-crystallized with Silver Nitrate (1 molecule in assymetric unit)

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	2023-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	126.809, 126.809, 72.981
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.860 - 2.100
R-factor	0.17882
Rwork	0.177
R-free	0.21133
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.233
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]	109.820	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.180	0.931
Rmeas	0.187	0.977
Rpim	0.052	0.293
Total number of observations	497623	35142
Number of reflections	39777	3251
<I/σ(I)>	11.3	2.6
Completeness [%]	100.0
Redundancy	12.5	10.8
CC(1/2)	0.997	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	2M Ammonium Sulfate and 100 mM Tris pH 8.5