8X44
Crystal structure of DIMT1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii (FormI)
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 | 2022-05-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 79.780, 85.340, 106.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.760 - 2.600 |
R-factor | 0.20847 |
Rwork | 0.205 |
R-free | 0.27263 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.585 |
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] | 85.340 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.151 | 0.563 |
Rmeas | 0.161 | 0.602 |
Rpim | 0.056 | 0.210 |
Total number of observations | 189170 | 22136 |
Number of reflections | 23103 | 2756 |
<I/σ(I)> | 9.2 | 3.3 |
Completeness [%] | 100.0 | |
Redundancy | 8.2 | 8 |
CC(1/2) | 0.994 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Zinc Acetate Dihydrate, 0.1 M Sodium Cacodylate Trihydrate pH 6.5, 18% (w/v) PEG 8000 |