7O5L

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	120.770, 196.070, 82.052
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.630 - 1.740
R-factor	0.1881
Rwork	0.188
R-free	0.21440
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]	48.634	48.634	1.850
High resolution limit [Å]	1.740	5.200	1.740
Rmerge	0.123	0.047	1.433
Rmeas	0.129	0.049	1.502
Total number of observations	1224382
Number of reflections	98599	3962	15150
<I/σ(I)>	13.7	43.8	1.36
Completeness [%]	99.2	99.6	95.3
Redundancy	12.418	11.366	11.027
CC(1/2)	0.999	0.999	0.687

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