9CPM

Thermus thermophilus HB27 laccase (Tth-Lac) mutant with partial deletion of beta-hairpin sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95371
Spacegroup name	P 1 21 1
Unit cell lengths	51.927, 66.032, 74.057
Unit cell angles	90.00, 100.14, 90.00

Refinement procedure

Resolution	51.170 - 1.600
R-factor	0.15484
Rwork	0.153
R-free	0.18152
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.853
Data reduction software	DIALS (3.20.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.030	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.184	2.330
Rmeas	0.218	2.789
Rpim	0.116	1.515
Number of reflections	65047	3216
<I/σ(I)>	7.2	1.7
Completeness [%]	99.9	99.8
Redundancy	6.9	6.7
CC(1/2)	0.993	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MES (pH6.5), 12% PEG 20K