9U5I

Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 293K, Soaked in potassium phosphate pH7.0 with MTA

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]	293
Detector technology	PIXEL
Collection date	2025-03-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	H 3 2
Unit cell lengths	78.788, 78.788, 233.573
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.360 - 1.640
Rwork	0.140
R-free	0.15920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wta
RMSD bond length	0.010
RMSD bond angle	1.923
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]	44.360	44.360	1.670
High resolution limit [Å]	1.640	8.980	1.640
Rmerge	0.069	0.017	0.976
Rmeas	0.077	0.019	1.089
Rpim	0.033	0.009	0.475
Number of reflections	34662	245	1676
<I/σ(I)>	25	93.2	2.8
Completeness [%]	100.0	97.5	100
Redundancy	10	7.4	10
CC(1/2)	1.000	1.000	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5.4	293.2	The mixture of protein solution and agarose was filled intou 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, 0.1M phosphate citarate pH5.4, 5mM MTA. Crystals soaked in 0.1M potassium phosphate pH7.0 with 5mM MTA.