8UOR

Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19E)

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	72.581, 77.435, 57.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.060 - 1.450
R-factor	0.12329
Rwork	0.122
R-free	0.16579
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.057
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	1.480
High resolution limit [Å]	1.450	3.930	1.450
Rmerge	0.044	0.013	1.009
Rmeas	0.048	0.014	1.104
Rpim	0.019	0.006	0.444
Total number of observations	338771
Number of reflections	56037	2956	2717
<I/σ(I)>	11.4
Completeness [%]	96.0	93.7	95.1
Redundancy	6	5.8	5.9
CC(1/2)	0.999	0.999	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 uL 17 mg/mL protein in 50 mM HEPES, pH 7.0, 150 mM sodium chloride + 0.2 uL reservoir (Molecular Dimensions Morpheus A2)