8RUD

Crystal structure of Rhizobium etli L-asparaginase ReAV K138A 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	2022-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	78.066, 91.386, 114.547
Unit cell angles	90.00, 96.90, 90.00

Refinement procedure

Resolution	56.860 - 2.100
R-factor	0.2066
Rwork	0.206
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.072
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]	113.730	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.138	0.858
Rmeas	0.168	1.046
Number of reflections	91345	14875
<I/σ(I)>	7.72	1.41
Completeness [%]	97.9
Redundancy	3.1
CC(1/2)	0.992	0.571

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