8WZ6

The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021 in ternary complex with NAD and DZNep

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	130.547, 130.547, 115.473
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.730 - 2.160
R-factor	0.2028
Rwork	0.200
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Q5ZTY7
RMSD bond length	0.013
RMSD bond angle	1.356
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.70)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.160	2.160
Number of reflections	31464	31317
<I/σ(I)>	47.5
Completeness [%]	99.3
Redundancy	39.2
CC(1/2)	0.936	0.703

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