8RUA

Crystal structure of Rhizobium etli L-asparaginase ReAV C135A 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	2021-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	78.064, 91.178, 106.049
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.840 - 1.710
R-factor	0.2019
Rwork	0.202
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.067
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]	78.060	1.810
High resolution limit [Å]	1.710	1.710
Rmerge	0.122	1.883
Rmeas	0.128	1.970
Number of reflections	82131	13024
<I/σ(I)>	11.89	1.54
Completeness [%]	99.8
Redundancy	12.2
CC(1/2)	0.998	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	30% PEG 4000, 0.2 M Li2SO4, 0.1 M Tris pH 8.5