9QCY

Crystal structure of Rhizobium etli L-asparaginase ReAV S80A 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	2022-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	78.056, 91.482, 104.311
Unit cell angles	90.00, 105.61, 90.00

Refinement procedure

Resolution	53.660 - 1.700
R-factor	0.2059
Rwork	0.205
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.116
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]	75.180	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.098	1.007
Rmeas	0.116	1.219
Number of reflections	154207	24585
<I/σ(I)>	7.94	1.14
Completeness [%]	99.5
Redundancy	3.4	3.1
CC(1/2)	0.997	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	22% PEG 4000, 0.2 M Li2SO4, 0.1 M Bicine pH 9.0