8X45
Crystal structure of DIMT1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii (FormII)
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 | 2022-05-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.740, 80.230, 85.710 |
| Unit cell angles | 90.00, 116.17, 90.00 |
Refinement procedure
| Resolution | 76.920 - 2.500 |
| R-factor | 0.23364 |
| Rwork | 0.231 |
| R-free | 0.28213 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.546 |
| 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] | 76.920 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.131 | 0.704 |
| Rmeas | 0.152 | 0.808 |
| Rpim | 0.075 | 0.390 |
| Total number of observations | 99968 | 11723 |
| Number of reflections | 24312 | 2847 |
| <I/σ(I)> | 7.1 | 2.1 |
| Completeness [%] | 95.2 | |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.987 | 0.778 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 0.2 M Zinc Acetate Dihydrate, 20% (w/v) PEG 3350 |
