9QYU

Crystal structure of leaf branch compost cutinase quintuple variant ICCG L50Y

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	2023-08-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 41 21 2
Unit cell lengths	96.650, 96.650, 73.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.325 - 1.510
Rwork	0.149
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.590
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]	48.560	1.600
High resolution limit [Å]	1.510	1.510
Number of reflections	1098150	8798
<I/σ(I)>	25.82
Completeness [%]	100.0
Redundancy	19.88
CC(1/2)	1.000	0.678

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