8ORI

Crystal structure of Rhizobium etli L-asparaginase ReAIV (orthorhombic)

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	2022-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976200
Spacegroup name	P 21 21 21
Unit cell lengths	83.200, 89.881, 169.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.420 - 1.350
R-factor	0.1309
Rwork	0.130
R-free	0.17730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.321
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.420	1.430
High resolution limit [Å]	1.350	1.350
Rmerge	0.113	1.558
Rmeas	0.118	1.620
Number of reflections	277080	44283
<I/σ(I)>	15	1.72
Completeness [%]	99.9	99.5
Redundancy	13.2	13.1
CC(1/2)	0.999	0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1 M HEPES pH 7.5, 0.2 M MgCl2, 17.5% PEG 8000, 0.3% DDM, 100 mM Asp