9SDK

Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant in complex with L-Asn and L-Asp

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	2024-09-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	77.992, 91.220, 105.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.720 - 1.300
R-factor	0.1636
Rwork	0.164
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.009
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]	69.090	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.138	2.046
Rmeas	0.146	2.189
Number of reflections	184387	28941
<I/σ(I)>	12.72
Completeness [%]	99.6	97.5
Redundancy	9.5	7.9
CC(1/2)	0.999	0.194

Crystallization Conditions

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