9U5H

Crystal structure of MTAP from Aeropyrum pernix complex with MTA at 333K, 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]	333
Detector technology	PIXEL
Collection date	2024-12-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	H 3 2
Unit cell lengths	78.875, 78.875, 233.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.410 - 1.670
Rwork	0.137
R-free	0.16440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wta
RMSD bond length	0.011
RMSD bond angle	1.946
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]	44.410	44.410	1.700
High resolution limit [Å]	1.670	8.840	1.670
Rmerge	0.059	0.018	1.008
Rmeas	0.066	0.020	1.123
Rpim	0.029	0.009	0.493
Number of reflections	32977	263	1711
<I/σ(I)>	25.2	89.4	2.4
Completeness [%]	100.0	98	100
Redundancy	10	7.8	10
CC(1/2)	1.000	1.000	0.691

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, 0.1M phosphate citrate pH5.4, 5mM MTA. Crystals soaked in 0.1M potassium phosphate pH7.0 with 5mM MTA.