9JU5
Structure of aldehyde dehydrogenase SbzJ in complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 90.116, 107.179, 110.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.060 - 2.000 |
| R-factor | 0.1491 |
| Rwork | 0.148 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wnb |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.803 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.280 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.116 | 0.620 |
| Number of reflections | 73223 | 4446 |
| <I/σ(I)> | 14.3 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 7.5 |
| CC(1/2) | 0.997 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8% v/v Tacsimate, 20% w/v Polyethylene glycol 3,350 |
