7XIG
Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) and spermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-21 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 77.828, 80.392, 97.844 |
| Unit cell angles | 72.46, 89.13, 88.08 |
Refinement procedure
| Resolution | 46.690 - 2.250 |
| R-factor | 0.17442 |
| Rwork | 0.173 |
| R-free | 0.20743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xif |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.467 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.650 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 106737 | 5243 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.989 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium formate, HEPES, PEG 3350 |
