8UOU

Structure of atypical asparaginase from Rhodospirillum rubrum in complex with L-Asp

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	71.460, 76.126, 55.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.970 - 1.350
R-factor	0.125
Rwork	0.123
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.116
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	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmerge	0.073	0.050	0.846
Rmeas	0.076	0.052	0.948
Rpim	0.023	0.016	0.413
Total number of observations	715962
Number of reflections	65882	3553	2810
<I/σ(I)>	15.4
Completeness [%]	98.1	98.1	85.3
Redundancy	10.9	10.7	4.7
CC(1/2)	0.994	0.995	0.647

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 uL 19 mg/mL protein in 50 mM HEPES, 150 mM sodium chloride + 0.2 uL reservoir (0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 30% v/v PEG400, 20 mM L-Asp)