8X4L

Crystal structure of the N132A mutant of DIMT1 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	2022-09-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	116.220, 80.550, 84.380
Unit cell angles	90.00, 114.94, 90.00

Refinement procedure

Resolution	64.080 - 2.600
R-factor	0.19047
Rwork	0.188
R-free	0.23939
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.443
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]	76.510	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.126	0.485
Rmeas	0.141	0.543
Rpim	0.061	0.238
Total number of observations	102825	12471
Number of reflections	21707	2644
<I/σ(I)>	6.5	2.4
Completeness [%]	99.5
Redundancy	4.7	4.7
CC(1/2)	0.992	0.844

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