8UP9

Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19Q)

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	2022-05-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	72.572, 77.368, 57.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.050 - 1.470
R-factor	0.12826
Rwork	0.127
R-free	0.16911
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.969
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	1.500
High resolution limit [Å]	1.470	3.990	1.470
Rmerge	0.088	0.068	0.779
Rmeas	0.097	0.076	0.859
Rpim	0.040	0.032	0.355
Total number of observations	343857
Number of reflections	55366	2806	2777
<I/σ(I)>	10.6
Completeness [%]	98.6	92.3	99.6
Redundancy	6.2	5.5	5.8
CC(1/2)	0.995	0.986	0.763

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, 150 mM sodium chloride + 0.2 uL reservoir (Molecular Dimensions Morpheus C9 1,2, pH 8.5)