7ZD9

Crystal structure of the E352T 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	2022-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8146
Spacegroup name	C 2 2 21
Unit cell lengths	121.117, 196.155, 81.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 1.890
R-factor	0.1693
Rwork	0.169
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7o5l
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]	81.638	81.638	2.000
High resolution limit [Å]	1.890	5.640	1.890
Rmerge	0.216	0.053	1.850
Rmeas	0.234	0.057	2.003
Total number of observations	1030038
Number of reflections	150834	5661	24183
<I/σ(I)>	9.27	31.2	1.33
Completeness [%]	99.8	99.9	98.8
Redundancy	6.829	6.77	6.752
CC(1/2)	0.996	0.999	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	0.2 M Sodium formate pH 7.0, 20% w/v PEG 3350