8X4O
Crystal structure of the Y135A mutant of DIMT1 in complex with 5'-methylthioadenosine 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 | 2022-10-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 3 |
| Unit cell lengths | 125.539, 125.539, 37.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.850 - 3.000 |
| R-factor | 0.22609 |
| Rwork | 0.219 |
| R-free | 0.30437 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.134 |
| 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] | 62.850 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.098 | 0.454 |
| Rmeas | 0.107 | 0.497 |
| Rpim | 0.044 | 0.201 |
| Total number of observations | 13062 | |
| Number of reflections | 12475 | 2148 |
| <I/σ(I)> | 9.8 | 3.4 |
| Completeness [%] | 94.9 | |
| Redundancy | 6.1 | 6.1 |
| CC(1/2) | 0.995 | 0.915 |
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 |
