8OSW

Crystal structure of Rhizobium etli L-asparaginase ReAIV (R4mC-1)

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	2022-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976200
Spacegroup name	C 1 2 1
Unit cell lengths	95.762, 85.889, 82.723
Unit cell angles	90.00, 108.72, 90.00

Refinement procedure

Resolution	46.200 - 1.300
R-factor	0.1337
Rwork	0.134
R-free	0.16290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.252
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]	78.350	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.079	0.582
Rmeas	0.086	0.655
Number of reflections	150517	19954
<I/σ(I)>	14.2	2.2
Completeness [%]	96.6	79.4
Redundancy	6.27	4.51
CC(1/2)	0.998	0.791

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