8UP8

Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F, complex with L-Asp)

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	2022-04-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	72.145, 77.640, 115.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.970 - 1.900
R-factor	0.17912
Rwork	0.178
R-free	0.22476
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.686
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.079	0.042	0.544
Rmeas	0.084	0.045	0.566
Rpim	0.026	0.015	0.156
Number of reflections	50786	2720	2496
<I/σ(I)>	9.5
Completeness [%]	99.0	97.8	100
Redundancy	11.7	10.5	13
CC(1/2)	1.000	0.997	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 uL 20 mg/mL protein in 50 mM HEPES, 150 mM sodium chloride, 20 mM L-Asp + 0.2 uL reservoir (Molecular Dimensions Morpheus F9, 20 mM L-Asp, pH 8.5)