9QYQ

Crystal structure of leaf branch compost cutinase variant ICCG L50Y T26E

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 PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	97.120, 97.120, 73.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.560 - 1.700
Rwork	0.184
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.926
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]	48.580	1.800
High resolution limit [Å]	1.700	1.700
Number of reflections	1016318	6233
<I/σ(I)>	16.52
Completeness [%]	99.4
Redundancy	25.75
CC(1/2)	0.999	0.536

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