8X4I
Crystal structure of the D117A 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 | 2022-09-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 6 |
| Unit cell lengths | 124.920, 124.920, 36.810 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.540 - 3.300 |
| R-factor | 0.20993 |
| Rwork | 0.201 |
| R-free | 0.28654 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.211 |
| 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] | 62.540 | 3.570 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.164 | 0.513 |
| Rmeas | 0.188 | 0.586 |
| Rpim | 0.091 | 0.281 |
| Total number of observations | 7428 | |
| Number of reflections | 9013 | 1735 |
| <I/σ(I)> | 9.1 | 2.9 |
| Completeness [%] | 93.2 | |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.967 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.4 | 293 | 0.2 M Zinc Acetate Dihydrate, 20% (w/v) PEG 3350 |
