8WWG

The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021 complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 62 2 2
Unit cell lengths	130.467, 130.467, 115.523
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.705 - 1.921
Rwork	0.209
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.404
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.805	1.990
High resolution limit [Å]	1.921	1.921
Number of reflections	1710554	44433
<I/σ(I)>	56.33
Completeness [%]	99.5
Redundancy	38.4
CC(1/2)	0.981	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	2.0 M Ammonium sulfate 0.1 M Bis-Tris pH 5.5