9RDD
Nicotinic Acid N-glucoside Reductase NaGR (A622) in complex with NADP+ and Nicotinic Acid N-glucoside
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2024-03-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.70542 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.586, 45.531, 53.473 |
| Unit cell angles | 73.20, 79.99, 69.64 |
Refinement procedure
| Resolution | 51.020 - 1.280 |
| R-factor | 0.17114 |
| Rwork | 0.169 |
| R-free | 0.21013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.880 |
| 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] | 51.020 | 1.544 |
| High resolution limit [Å] | 1.278 | 1.278 |
| Rmerge | 0.070 | 0.614 |
| Rpim | 0.049 | 0.614 |
| Number of reflections | 44163 | 2208 |
| <I/σ(I)> | 8 | 1.6 |
| Completeness [%] | 87.0 | |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.996 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES pH 7.5, 25% (w/v) PEG 3350 |
