8RUF

Crystal structure of Rhizobium etli L-asparaginase ReAV D187A 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	2022-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8265
Spacegroup name	P 1 21 1
Unit cell lengths	77.715, 91.260, 114.197
Unit cell angles	90.00, 96.95, 90.00

Refinement procedure

Resolution	48.570 - 1.600
R-factor	0.1578
Rwork	0.158
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.082
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]	113.360	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.119	1.286
Rmeas	0.129	1.388
Number of reflections	208980	33605
<I/σ(I)>	12.66	1.63
Completeness [%]	99.9
Redundancy	7
CC(1/2)	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	22% PEG 3350, 0.2 M Li2SO4, 0.1 M Bicine pH 9.0