9QCT

Crystal structure of Rhizobium etli L-asparaginase ReAV R47A mutant

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	2022-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	78.059, 91.550, 114.462
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	50.600 - 1.750
R-factor	0.1712
Rwork	0.171
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.106
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]	71.290	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.115	0.892
Rmeas	0.135	1.057
Number of reflections	160568	25814
<I/σ(I)>	8.38	1.38
Completeness [%]	99.6
Redundancy	3.5	3.5
CC(1/2)	0.997	0.570

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, 1% v/v isopropanol