9G68

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

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	2023-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9196
Spacegroup name	P 21 21 21
Unit cell lengths	78.142, 91.342, 106.397
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.670 - 1.510
R-factor	0.1716
Rwork	0.171
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.046
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]	69.310	1.630
High resolution limit [Å]	1.510	1.510
Rmerge	0.102	1.117
Rmeas	0.115	1.241
Number of reflections	84408	4220
<I/σ(I)>	9.6	1.6
Completeness [%]	93.8
Redundancy	4.7
CC(1/2)	0.998	0.588

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