8UPC

Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K158M)

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	2022-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	72.151, 77.505, 58.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.100 - 1.200
R-factor	0.13988
Rwork	0.139
R-free	0.16396
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.802
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	99988	3707
<I/σ(I)>	27.5
Completeness [%]	97.0
Redundancy	11
CC(1/2)	0.998	0.762

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 uL 18 mg/mL protein in 50 mM HEPES, pH 7.0, 150 mM sodium chloride + 0.2 uL reservoir Molecular Dimensions Morpheus B12, pH 8.5)