8RUE

Crystal structure of Rhizobium etli L-asparaginase ReAV H139A mutant

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	2023-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9196
Spacegroup name	P 1 21 1
Unit cell lengths	77.906, 91.472, 114.471
Unit cell angles	90.00, 96.98, 90.00

Refinement procedure

Resolution	37.870 - 1.400
R-factor	0.1416
Rwork	0.141
R-free	0.17580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.069
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]	77.330	1.490
High resolution limit [Å]	1.400	1.400
Rmerge	0.088	1.322
Rmeas	0.095	1.427
Number of reflections	309393	49331
<I/σ(I)>	12.68	1.46
Completeness [%]	99.2
Redundancy	7
CC(1/2)	0.999	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	22% PEG 3350, 0.2 M MgCl2, 0.1 M Bicine pH 9.0, 1% v/v isopropanol