8WZ7

The crystal structure of Legionella pneumophila adenosylhomocysteinase Lpg2021(I255A,T287A) in ternary complex with NAD and adenosine

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	130.657, 130.657, 113.834
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.945 - 1.922
Rwork	0.205
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Q5ZTY7
RMSD bond length	0.009
RMSD bond angle	1.406
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.70)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.991
High resolution limit [Å]	1.920	1.922
Number of reflections	44078	43894
<I/σ(I)>	3.9
Completeness [%]	99.7
Redundancy	38.5
CC(1/2)	0.944	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M Potassium thiocyanate, 30% w/v PEG 2000 MME