9QCZ

Crystal structure of Rhizobium etli L-asparaginase ReAV K263A 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	2021-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9770
Spacegroup name	P 1 21 1
Unit cell lengths	77.887, 91.507, 114.338
Unit cell angles	90.00, 97.08, 90.00

Refinement procedure

Resolution	48.690 - 1.600
R-factor	0.1605
Rwork	0.160
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.051
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]	91.510	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.096	0.787
Rmeas	0.114	0.952
Number of reflections	207205	32544
<I/σ(I)>	7.98	1.44
Completeness [%]	99.3
Redundancy	3.4
CC(1/2)	0.997	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	22% PEG 3350, 0.2 M Li2SO4, 0.1 M Tris pH 8.5