30CV

Class 3 L-asparaginase from Colletotrichum fructicola with the active site Ser51 modified with boric acid- glycol ester

This is a non-PDB format compatible entry.

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	2024-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	57.712, 213.816, 57.920
Unit cell angles	90.00, 102.98, 90.00

Refinement procedure

Resolution	45.240 - 1.760
R-factor	0.1482
Rwork	0.148
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.993
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]	80.000	1.860
High resolution limit [Å]	1.760	1.760
Rmerge	0.139	1.365
Rmeas	0.150	1.471
Number of reflections	134220	21605
<I/σ(I)>	9.86	1.38
Completeness [%]	99.2
Redundancy	7.09	7.11
CC(1/2)	0.997	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	292	100mM Caps pH 10 27.5% PEG 3350 200 mM MgCl2