8AJT

Crystal structure of the H323A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	176.710, 134.561, 108.091
Unit cell angles	90.00, 105.71, 90.00

Refinement procedure

Resolution	42.559 - 1.499
Rwork	0.152
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f3m
RMSD bond length	0.011
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.559	1.550
High resolution limit [Å]	1.460	1.460
Number of reflections	826623	128876
<I/σ(I)>	8.88	0.53
Completeness [%]	98.9
Redundancy	3.372
CC(1/2)	0.999	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Morpheus Crystallization Screen, Condition C12