8RUG

Crystal structure of Rhizobium etli L-asparaginase ReAV C189A 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	2022-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	78.046, 91.292, 105.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.090 - 1.700
R-factor	0.1625
Rwork	0.162
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.058
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]	78.050	1.810
High resolution limit [Å]	1.700	1.700
Rmerge	0.152	1.649
Rmeas	0.158	1.721
Number of reflections	83283	13254
<I/σ(I)>	14.95	1.76
Completeness [%]	99.9
Redundancy	13.2
CC(1/2)	0.999	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	20% PEG 8000, 0.2 M Li2SO4, 0.1 M Bicine pH 9.0