9MA4

Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 343K, 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]	343
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	79.021, 79.021, 234.029
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.470 - 1.720
Rwork	0.137
R-free	0.16830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wta
RMSD bond length	0.010
RMSD bond angle	1.926
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]	44.470	44.470	1.750
High resolution limit [Å]	1.720	9.100	1.720
Rmerge	0.098	0.017	1.200
Rmeas	0.108	0.019	1.343
Rpim	0.047	0.009	0.596
Number of reflections	30381	241	1597
<I/σ(I)>	23.7	85.6	2.3
Completeness [%]	100.0	98.2	100
Redundancy	10	7.2	9.7
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 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. Crystals soaked in 0.1M potassium phosphate pH7.0 with 5mM MTA.