9RDR
Nicotine Glucoside Synthase (BBL) in complex with FAD and Nicotine Glucoside
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2025-03-29 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.263, 122.880, 148.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.480 - 2.560 |
| R-factor | 0.21533 |
| Rwork | 0.213 |
| R-free | 0.26932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.794 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.480 | 2.640 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.161 | 1.303 |
| Rpim | 0.065 | 0.537 |
| Number of reflections | 50549 | 4587 |
| <I/σ(I)> | 10.8 | 1.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.6 | |
| CC(1/2) | 0.998 | 0.923 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | PEG 3350 19% (w/v); 0.2 M Li2SO4; 0.1 M bis-tris pH 5.5 50 mM nicotine glucoside |
