9G67

Crystal structure of Rhizobium etli L-asparaginase ReAV K138H 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	2023-08-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7749
Spacegroup name	P 21 21 21
Unit cell lengths	78.233, 91.687, 106.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.000 - 1.700
R-factor	0.1761
Rwork	0.175
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.080
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]	69.420	1.860
High resolution limit [Å]	1.700	1.700
Rmerge	0.151	1.781
Rmeas	0.159	1.854
Number of reflections	55231	2762
<I/σ(I)>	11.4	1.5
Completeness [%]	94.4
Redundancy	11.1
CC(1/2)	0.999	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	22% PEG 4000, 0.2 M MgCl2, 0.1 M Bicine pH 9.0