8X46
Crystal structure 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 | 2022-05-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.150, 80.340, 84.110 |
| Unit cell angles | 90.00, 115.46, 90.00 |
Refinement procedure
| Resolution | 64.450 - 2.200 |
| R-factor | 0.21535 |
| Rwork | 0.213 |
| R-free | 0.26103 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.420 |
| 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] | 75.940 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.111 | 0.554 |
| Rmeas | 0.126 | 0.633 |
| Rpim | 0.059 | 0.302 |
| Total number of observations | 161859 | 13702 |
| Number of reflections | 36508 | 3157 |
| <I/σ(I)> | 6.3 | 2 |
| Completeness [%] | 100.0 | |
| Redundancy | 4.4 | 4.3 |
| CC(1/2) | 0.994 | 0.866 |
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 |
