7ZD4

Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase soaked with Cu+ ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-15
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	175.680, 133.570, 107.040
Unit cell angles	90.00, 105.22, 90.00

Refinement procedure

Resolution	35.290 - 2.140
R-factor	0.1834
Rwork	0.183
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f3m
RMSD bond length	0.003
RMSD bond angle	0.555
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]	35.290	35.290	2.200
High resolution limit [Å]	2.140	9.580	2.140
Rmerge	0.191	0.038	0.803
Rmeas	0.221	0.046	1.061
Number of reflections	127941	1490	7724
<I/σ(I)>	5.09	15.12	1.09
Completeness [%]	98.0	97.3	80.1
Redundancy	3.792	3.04	1.69
CC(1/2)	0.990	0.997	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.1 M MOPS/HEPES-Na pH 7.5