9LES
Structure of FtmoX1 complexes with alkylamine derivative products
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.140, 81.490, 91.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.480 - 1.690 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.057 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.630 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 58194 | 58194 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 95.4 | |
| Redundancy | 11.4 | |
| CC(1/2) | 0.952 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 25%PEG4000, 0.1MTris, 0.3Mmagnesium chloride |
