8X47

Crystal structure of DIMT1 in complex with S-adenosyl-L-homocysteine (SAH) from Pyrococcus horikoshii

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	2022-05-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	81.990, 100.170, 77.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.450 - 2.800
R-factor	0.18886
Rwork	0.184
R-free	0.27596
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.389
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]	63.450	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.153	0.487
Rmeas	0.163	0.516
Rpim	0.056	0.169
Total number of observations	71404	10320
Number of reflections	7997	1135
<I/σ(I)>	11.1	4.5
Completeness [%]	98.1
Redundancy	8.9	9.1
CC(1/2)	0.991	0.950

Crystallization Conditions

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