8GUL

Chitin-active AA10 LPMO (GbpA) complexed with Cu(II) from Vibrio campbellii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-21
Detector	RAYONIX MX-300
Wavelength(s)	0.99984
Spacegroup name	P 41 21 2
Unit cell lengths	113.433, 113.433, 213.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.780 - 2.440
R-factor	0.2063
Rwork	0.204
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold2
RMSD bond length	0.002
RMSD bond angle	0.471
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.480
High resolution limit [Å]	2.440	2.440
Rmerge	0.125	1.190
Rmeas	0.127	1.310
Rpim	0.024	0.518
Number of reflections	52161	2166
<I/σ(I)>	29.1	0.72
Completeness [%]	99.0	84.1
Redundancy	26.2
CC(1/2)		0.454

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	1.0M Ammonium sulfate, 0.1M ADA buffer, pH 7.0