9LXQ

Crystal structure of 5'-Deoxy-5'-methylthioadenosine phosphorylase from Aeropyrum pernix complex with 5'-Deoxy-5'-methylthioadenosine 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	H 3 2
Unit cell lengths	77.766, 77.766, 230.335
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.770 - 1.370
Rwork	0.121
R-free	0.14720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wta
RMSD bond length	0.011
RMSD bond angle	2.007
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]	43.770	43.770	1.400
High resolution limit [Å]	1.370	7.250	1.370
Rmerge	0.095	0.056	0.823
Rmeas	0.106	0.063	0.928
Rpim	0.046	0.027	0.419
Number of reflections	56744	451	2962
<I/σ(I)>	13.7	32.6	2.7
Completeness [%]	100.0	99.5	99.9
Redundancy	10	8.6	9.1
CC(1/2)	0.998	0.997	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	293.2	15%(v/v)PEG#200, 0.1 M phosphate citrate pH 5.4, 5 mM MTA