8UP7

Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A)

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	2022-01-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	72.106, 77.358, 58.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.110 - 1.700
R-factor	0.20079
Rwork	0.199
R-free	0.23295
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.586
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	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.116	0.046	1.091
Rmeas	0.121	0.049	1.160
Rpim	0.036	0.016	0.377
Total number of observations	386113
Number of reflections	34698	1563	1681
<I/σ(I)>	7.4
Completeness [%]	95.0	78.5	93.1
Redundancy	11.1	8.5	7.2
CC(1/2)	0.993	0.995	0.767

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 D9, pH 8.5)