5NNO
Structure of TbALDH3 complexed with NAD and AN3057 aldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-09 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.168, 62.524, 92.974 |
| Unit cell angles | 90.00, 100.08, 90.00 |
Refinement procedure
| Resolution | 46.560 - 2.500 |
| R-factor | 0.23613 |
| Rwork | 0.234 |
| R-free | 0.27807 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5myp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.551 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.560 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.074 | 0.112 |
| Number of reflections | 34306 | 3730 |
| <I/σ(I)> | 12.9 | 8 |
| Completeness [%] | 97.6 | 93.9 |
| Redundancy | 3.1 | 2.6 |
| CC(1/2) | 0.989 | 0.968 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 100 mM Bis-Tris pH 5.5, 0.2 M LiSO4, 25% PEG3350 |
