8X4P
Crystal structure of the Y135A mutant of DIMT1 in complex with adenosylornithine (SFG) 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 | 2022-10-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.060, 79.960, 85.410 |
| Unit cell angles | 90.00, 116.28, 90.00 |
Refinement procedure
| Resolution | 76.580 - 2.600 |
| R-factor | 0.26369 |
| Rwork | 0.262 |
| R-free | 0.28909 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.567 |
| 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] | 76.580 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.190 | 0.566 |
| Rmeas | 0.218 | 0.643 |
| Rpim | 0.104 | 0.300 |
| Total number of observations | 91861 | 9752 |
| Number of reflections | 20945 | 2200 |
| <I/σ(I)> | 5.8 | 2.1 |
| Completeness [%] | 94.3 | |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.939 | 0.846 |
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 |
