7O5M

Crystal structure of S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803 cocrystallized with adenosine in the presence of Na+ cations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-15
Detector	RAYONIX MX-225
Wavelength(s)	0.89429
Spacegroup name	C 2 2 21
Unit cell lengths	120.770, 197.130, 82.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.270 - 2.200
R-factor	0.1936
Rwork	0.192
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onf
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.270	42.270	2.260
High resolution limit [Å]	2.200	9.830	2.200
Rmerge	0.216	0.067	0.797
Rmeas	0.243	0.076	0.936
Total number of observations	205840
Number of reflections	46913	567	2707
<I/σ(I)>	5.92	19.7	1.32
Completeness [%]	93.3	88.3	73.4
Redundancy	4.388	4.325	2.907
CC(1/2)	0.982	0.991	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	292	0.2MSodium fluoride, 0.1MBis-Tris propane pH 7.5, 20% w/vPEG 3350