9RCN

Laccase (multicopper oxidase) from Pediococcus pentosaceus 4618 mutant E451L co-crystallized with Silver Nitrate (2 molecules 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	2022-09-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97926
Spacegroup name	P 32 2 1
Unit cell lengths	119.807, 119.807, 174.255
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	103.760 - 2.500
R-factor	0.18149
Rwork	0.179
R-free	0.21833
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.255
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]	103.760	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.139	1.357
Rmeas	0.145	1.412
Rpim	0.041	0.388
Total number of observations	623633	58631
Number of reflections	50079	4523
<I/σ(I)>	13.6	2.2
Completeness [%]	99.2
Redundancy	12.5	13
CC(1/2)	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	25% PEG4000 Sodium Citrate pH 5.6 0.2M Ammonium Sulphate