7ZD8

Crystal structure of the R24E 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	120.310, 195.837, 81.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.840 - 2.030
R-factor	0.1687
Rwork	0.168
R-free	0.20300
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]	102.511	102.511	2.150
High resolution limit [Å]	2.030	6.080	2.030
Rmerge	0.124	0.037	1.682
Rmeas	0.134	0.040	1.826
Total number of observations	829146
Number of reflections	120727	4499	19340
<I/σ(I)>	10.32	40.84	1.02
Completeness [%]	99.8	99.8	98.6
Redundancy	6.868	7.038	6.517
CC(1/2)	0.998	0.999	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	0.2 M sodium chloride, 0.1 M HEPES pH 7.0, 20 % w/v PEG 6000