7ZD2

Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase inhibited by Co2+ ions.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-01
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	177.150, 134.210, 109.610
Unit cell angles	90.00, 106.08, 90.00

Refinement procedure

Resolution	29.320 - 2.160
R-factor	0.1803
Rwork	0.180
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f3m
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2.4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.320	29.320	2.210
High resolution limit [Å]	2.160	9.640	2.160
Rmerge	0.134	0.037	0.801
Rmeas	0.162	0.046	0.965
Total number of observations	406543
Number of reflections	130661	1282	9410
<I/σ(I)>	6.59	20.66	1.41
Completeness [%]	98.5	82.5	96.6
Redundancy	3.111	2.478	3.116
CC(1/2)	0.993	0.996	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.02 M 1,6-hexanediol, 0.02 M 1-butanol, 0.02 M (RS)-1,2-propanediol, 0.02 M 2-propanol, 0.02 M 1,4-butanediol, 0.02 M 1,3-propanediol, 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.1 M bicine/Trizma base pH 8.5