9E50
TAD from Carmabin Biosynthetic Pathway in complex with NAD - Crystal Form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.433, 72.813, 209.207 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.160 - 1.680 |
| R-factor | 0.2018 |
| Rwork | 0.201 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.628 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.160 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.112 | 1.498 |
| Number of reflections | 96746 | 9433 |
| <I/σ(I)> | 10.68 | 1.15 |
| Completeness [%] | 99.3 | 98.53 |
| Redundancy | 7.7 | 7.8 |
| CC(1/2) | 0.998 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 100 mM bis-tris propane pH 8.5, 0.1M sodium iodide, 21% PEG 3350, 3% MPD |
