8X4P

Crystal structure of the Y135A mutant 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	2022-10-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	119.060, 79.960, 85.410
Unit cell angles	90.00, 116.28, 90.00

Refinement procedure

Resolution	76.580 - 2.600
R-factor	0.26369
Rwork	0.262
R-free	0.28909
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.567
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]	76.580	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.190	0.566
Rmeas	0.218	0.643
Rpim	0.104	0.300
Total number of observations	91861	9752
Number of reflections	20945	2200
<I/σ(I)>	5.8	2.1
Completeness [%]	94.3
Redundancy	4.4	4.4
CC(1/2)	0.939	0.846

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