8X41
Crystal structure of DIMT1 in complex with 5'-methylthioadenosine and adenosine 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 | 2022-05-09 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.380, 77.260, 94.229 |
| Unit cell angles | 90.00, 119.95, 90.00 |
Refinement procedure
| Resolution | 62.160 - 2.350 |
| R-factor | 0.16682 |
| Rwork | 0.165 |
| R-free | 0.20542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.516 |
| 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] | 81.640 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.057 | 0.200 |
| Rmeas | 0.067 | 0.235 |
| Rpim | 0.034 | 0.122 |
| Total number of observations | 118049 | 10963 |
| Number of reflections | 31324 | 3015 |
| <I/σ(I)> | 18.7 | 6.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 3.8 | 3.6 |
| CC(1/2) | 0.998 | 0.950 |
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 |
