7ZD7

Crystal structure of the R24E/E352T double mutant 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	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	2022-03-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8146
Spacegroup name	C 2 2 21
Unit cell lengths	120.897, 196.825, 81.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.510 - 1.900
R-factor	0.1664
Rwork	0.166
R-free	0.20010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7o5l
Data reduction software	XDS (1.19.2-4158)
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]	103.015	103.015	2.020
High resolution limit [Å]	1.900	5.690	1.900
Rmerge	0.116	0.036	1.621
Rmeas	0.125	0.039	1.752
Total number of observations	1026447
Number of reflections	148451	5539	23733
<I/σ(I)>	11.11	40.76	1.08
Completeness [%]	99.8	99.9	98.6
Redundancy	6.914	6.885	6.903
CC(1/2)	0.998	0.999	0.474

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	0.2 M sodium fluoride, 0.1 M Bis Tris propane pH 6.5, 20 % w/v PEG 3350