8X3W

Crystal structure of DIMT1 from the thermophilic archaeon, 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	2022-07-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	117.860, 80.170, 84.640
Unit cell angles	90.00, 115.50, 90.00

Refinement procedure

Resolution	76.390 - 2.010
R-factor	0.19718
Rwork	0.195
R-free	0.24559
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.455
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]	76.390	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.100	0.563
Rmeas	0.112	0.639
Rpim	0.051	0.299
Total number of observations	225549	15354
Number of reflections	47378	3435
<I/σ(I)>	10.4	2.7
Completeness [%]	99.9
Redundancy	4.8	4.5
CC(1/2)	0.995	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.4	293	0.2 M Zinc Acetate Dihydrate, 20% (w/v) PEG 3350