9R1S
Crystal structure of an NtA622L variant in complex with NADPH and Nicotinic acid N-glucoside
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.697, 45.076, 46.471 |
| Unit cell angles | 110.03, 94.80, 112.58 |
Refinement procedure
| Resolution | 38.015 - 1.500 |
| Rwork | 0.199 |
| R-free | 0.24250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.263 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.020 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 39296 | 1618 |
| <I/σ(I)> | 4 | |
| Completeness [%] | 80.5 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.994 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.05 M BIS-TRIS, 12.5% w/v Polyethylene glycol 3,350, 5 mg/ml protein, 1 mM Nicotinic acid N-glucoside |
