8X46

Crystal structure of DIMT1 in complex with adenosylornithine (SFG) 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	2022-05-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	119.150, 80.340, 84.110
Unit cell angles	90.00, 115.46, 90.00

Refinement procedure

Resolution	64.450 - 2.200
R-factor	0.21535
Rwork	0.213
R-free	0.26103
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.420
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]	75.940	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.111	0.554
Rmeas	0.126	0.633
Rpim	0.059	0.302
Total number of observations	161859	13702
Number of reflections	36508	3157
<I/σ(I)>	6.3	2
Completeness [%]	100.0
Redundancy	4.4	4.3
CC(1/2)	0.994	0.866

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