7B4Y

Structure of the M298L mutant of the Streptomyces coelicolor small laccase T1 copper axial ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97917
Spacegroup name	P 21 3
Unit cell lengths	177.200, 177.200, 177.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.650 - 2.190
R-factor	0.1502
Rwork	0.150
R-free	0.15830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cg8
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.340	72.340	2.230
High resolution limit [Å]	2.190	11.990	2.190
Rmerge	0.158	0.073	0.709
Rmeas	0.173	0.081	0.778
Rpim	0.069	0.031	0.314
Total number of observations	543286	3755	27870
Number of reflections	94266	629	4678
<I/σ(I)>	7.1	12.4	2.6
Completeness [%]	99.2	97.7	99.5
Redundancy	5.8	6	6
CC(1/2)	0.987	0.982	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Protein concentration was 20 mg/ml in 20 mM Tris-HCl buffer (pH 7.5). Mother liquor was made up of 40% MPD, 200 mM NH4-OAc and 100 mM HEPES (pH 7.5). The protein was mixed in 2:1 ratio with protein to mother liquor.