9QCW

Crystal structure of Rhizobium etli L-asparaginase ReAV K51A 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	2021-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	78.003, 91.271, 106.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.200 - 1.950
R-factor	0.1819
Rwork	0.181
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.146
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]	91.270	2.070
High resolution limit [Å]	1.950	1.950
Rmerge	0.143	1.046
Rmeas	0.155	1.132
Number of reflections	55856	8876
<I/σ(I)>	10.75	2.06
Completeness [%]	99.7
Redundancy	6.6	6.8
CC(1/2)	0.998	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	30% PEG 4000, 0.2 M Li2SO4, 0.1 M Tris pH 8.5