9RD2

Crystal structure of a leaf-branch compost cutinase variant (LCC_ICCG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.7290
Spacegroup name	P 41 21 2
Unit cell lengths	88.081, 88.081, 73.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.626 - 1.640
Rwork	0.171
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.797
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.626	47.580	1.670
High resolution limit [Å]	1.640	8.980	1.640
Rmerge	0.108	0.061	1.132
Rmeas	0.112	0.064	1.174
Rpim	0.030	0.017	0.310
Number of reflections	35907	271	1735
<I/σ(I)>	17.2
Completeness [%]	99.5
Redundancy	25.9	17.6	27
CC(1/2)	0.999	0.999	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M Sodium Nitrate, 20% (w/v) PEG 3350