9QYR

Crystal structure of leaf branch compost cutinase variant ICCG L50Y Q183K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	96.570, 96.570, 73.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.285 - 1.710
Rwork	0.171
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.980
Data reduction software	XDS (Jun 30, 2024)
Data scaling software	XDS (Jun 30, 2024)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	1.810
High resolution limit [Å]	1.710	1.710
Number of reflections	964320	152116
<I/σ(I)>	19.09	1.06
Completeness [%]	99.5	97
Redundancy	25.93
CC(1/2)	0.806	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	10 mM Tris, 150 mM NaCl, 0.6 M succinic acid, pH 7.0