8WZ9

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

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	2023-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 62 2 2
Unit cell lengths	130.820, 130.820, 117.118
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.511 - 1.649
Rwork	0.176
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Q5ZTY7
RMSD bond length	0.009
RMSD bond angle	1.405
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.649	1.649
Rmerge	0.102
Rpim	0.017
Number of reflections	71306	70987
<I/σ(I)>	50.3
Completeness [%]	100.0
Redundancy	38.6
CC(1/2)	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.5 M Ammonium sulfate 1.0 M Lithium sulfate 0.1 M Sodium citrate pH 5.6