30CU

Class 3 L-asparaginase from Colletotrichum fructicola with unmodified active site Ser51

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	90.088, 71.901, 221.038
Unit cell angles	90.00, 98.92, 90.00

Refinement procedure

Resolution	40.890 - 1.710
R-factor	0.1831
Rwork	0.183
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.790	1.810
High resolution limit [Å]	1.710	1.710
Rmerge	0.047	1.353
Rmeas	0.069	1.460
Number of reflections	149215	23931
<I/σ(I)>	14.17
Completeness [%]	98.4
Redundancy	7.01
CC(1/2)	0.999	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	277	100mM Tricine pH 8.7 27.5% PEG 3350 200 mM MgCl2