8X44

Crystal structure of DIMT1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii (FormI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2022-05-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	79.780, 85.340, 106.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.760 - 2.600
R-factor	0.20847
Rwork	0.205
R-free	0.27263
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.585
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.340	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.151	0.563
Rmeas	0.161	0.602
Rpim	0.056	0.210
Total number of observations	189170	22136
Number of reflections	23103	2756
<I/σ(I)>	9.2	3.3
Completeness [%]	100.0
Redundancy	8.2	8
CC(1/2)	0.994	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M Zinc Acetate Dihydrate, 0.1 M Sodium Cacodylate Trihydrate pH 6.5, 18% (w/v) PEG 8000