30CT

Class 3 L-asparaginase from Fusarium oxysporum with the active site Ser51 modified with boric acid - glycerol ester

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	2022-03-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 41 21 2
Unit cell lengths	82.904, 82.904, 178.113
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.680 - 1.700
R-factor	0.1624
Rwork	0.162
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.975
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]	55.680	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.093	2.010
Rmeas	0.096	2.090
Number of reflections	832305	63113
<I/σ(I)>	18.8
Completeness [%]	99.9	99.5
Redundancy	13.19	13.04
CC(1/2)	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	100 mM Hepes pH 7.5 0.5 M magnesium formate