8WZ8

The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021(T67A,Q69A) complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 62 2 2
Unit cell lengths	131.600, 131.600, 115.886
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.524 - 2.583
Rwork	0.222
R-free	0.27160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Q5ZTY7
RMSD bond length	0.010
RMSD bond angle	1.487
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.70)
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.680
High resolution limit [Å]	2.583	2.583
Number of reflections	19107	18631
<I/σ(I)>	22.76
Completeness [%]	97.6
Redundancy	38.31
CC(1/2)	0.992	0.938

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