8X47
Crystal structure of DIMT1 in complex with S-adenosyl-L-homocysteine (SAH) 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 | 2022-05-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.990, 100.170, 77.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.450 - 2.800 |
| R-factor | 0.18886 |
| Rwork | 0.184 |
| R-free | 0.27596 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.389 |
| 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] | 63.450 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.153 | 0.487 |
| Rmeas | 0.163 | 0.516 |
| Rpim | 0.056 | 0.169 |
| Total number of observations | 71404 | 10320 |
| Number of reflections | 7997 | 1135 |
| <I/σ(I)> | 11.1 | 4.5 |
| Completeness [%] | 98.1 | |
| Redundancy | 8.9 | 9.1 |
| CC(1/2) | 0.991 | 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 |
