8UOW

Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21A)

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	2022-04-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	71.831, 77.119, 114.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.800 - 1.600
R-factor	0.18738
Rwork	0.186
R-free	0.22131
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.874
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.051	0.047	0.326
Rmeas	0.057	0.053	0.367
Rpim	0.025	0.024	0.164
Total number of observations	393729
Number of reflections	84496	4467	4101
<I/σ(I)>	23.3
Completeness [%]	98.5	97.2	97.3
Redundancy	4.7	4.4	4.6
CC(1/2)	0.991	0.994	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 uL 16 mg/mL protein in 50 mM HEPES, pH 7, 150 mM sodium chloride + 0.2 uL reservoir (Molecular Dimensions Morpheus III F8)