9JKU

Crystal Structure of 5'-Deoxy-5'-methylthioadenosine phosphorylase from Aeropyrum pernix complex with 5'-Deoxy-5'-methylthioadenosine 333K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	333
Detector technology	PIXEL
Collection date	2024-10-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	H 3 2
Unit cell lengths	78.924, 78.924, 233.512
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.390 - 1.610
Rwork	0.140
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wta
RMSD bond length	0.011
RMSD bond angle	1.993
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.390	44.390	1.640
High resolution limit [Å]	1.610	8.820	1.610
Rmerge	0.071	0.024	1.029
Rmeas	0.079	0.027
Rpim	0.034	0.012	0.496
Number of reflections	36745	266	1797
<I/σ(I)>	23.7	72.5	2.6
Completeness [%]	100.0		100
Redundancy	10		10.1
CC(1/2)	0.999	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5.4	293.2	The mixture of protein solution and agarose was filled into a glass capillary, and the capillary was immersed in the reservoir solution for crystallization. The composition of the reservoir solution was as follows.15%(v/v)PEG#200,0.1 M phosphate citrate pH 5.4, 5 mM MTA