8UOO

Structure of atypical asparaginase from Rhodospirillum rubrum

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	2022-01-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	72.184, 76.962, 57.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.960 - 1.650
R-factor	0.18789
Rwork	0.186
R-free	0.22241
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.652
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	1.690
High resolution limit [Å]	1.650	4.500	1.660
Rmerge	0.098	0.055	0.986
Rmeas	0.104	0.061	1.051
Rpim	0.033	0.024	0.347
Number of reflections	37670	1652	1784
<I/σ(I)>	7.9
Completeness [%]	95.2	76.7	92.9
Redundancy	10	6.2	6.6
CC(1/2)	0.996	0.993	0.719

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 + 0.2 uL reservoir (0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 30% v/v PEG400)