28UB

LASV cap-snatching endonuclease in complex with 2,4-dioxo-4-phenylbutanoic acid - serial synchrotron crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P09 HiPhaX
Synchrotron site	PETRA III, DESY
Beamline	P09 HiPhaX
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-12-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7749
Spacegroup name	P 43 21 2
Unit cell lengths	58.370, 58.370, 135.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.160 - 1.660
R-factor	0.2021
Rwork	0.201
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.824
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2-5419_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.010	1.690
High resolution limit [Å]	1.660	1.660
Number of reflections	29030	1404
<I/σ(I)>	8.3	1
Completeness [%]	100.0
Redundancy	197.8
CC(1/2)	0.994	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	After limited proteolysis with subtilisin A, 7.5 mg/ml target protein were mixed with an equal volume of crystallization solution (10% w/v PEG 10000, 250 mM MgSO4 and 100 mM Tris/HCl pH 9.0)