8ECE

E. coli L-asparaginase II mutant (V27T) in complex with L-Glu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	73.772, 126.954, 132.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.440 - 1.860
R-factor	0.1436
Rwork	0.143
R-free	0.19150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eca
RMSD bond length	0.020
RMSD bond angle	2.008
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.890
High resolution limit [Å]	1.860	1.860
Rmerge	0.107	0.791
Rmeas	0.111	0.839
Rpim	0.030	0.271
Number of reflections	105359	5199
<I/σ(I)>	26.15	2.08
Completeness [%]	99.9	99.4
Redundancy	12.8	8.3
CC(1/2)	0.998	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.14 M Sodium bromide, 14% w/v Polyethylene glycol 3,350