9IFW
FSP1 (tetrapod ancestor) bound to FAD and NAD+ and compound 4
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-01-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.660, 79.510, 112.785 |
| Unit cell angles | 90.00, 98.79, 90.00 |
Refinement procedure
| Resolution | 42.520 - 1.740 |
| R-factor | 0.20706 |
| Rwork | 0.205 |
| R-free | 0.24829 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.528 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.520 | 1.780 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.104 | 1.055 |
| Rmeas | 0.131 | 1.340 |
| Rpim | 0.079 | 0.815 |
| Total number of observations | 9710 | |
| Number of reflections | 75055 | 4050 |
| <I/σ(I)> | 5 | 0.6 |
| Completeness [%] | 97.1 | |
| Redundancy | 2.4 | 2.4 |
| CC(1/2) | 0.994 | 0.277 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.06 M MgCl2, 0.06 M CaCl2, 0.1 M imidazole/MES monohydrate (acid) pH 6.5, 12.5% MPD, 12.5% PEG1000, 12.5% PEG3350 |
