7JSO
P. syringae AldA Indole-3-Acetaldehyde Dehydrogenase C302A mutant in complex with NAD+ and IAA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-08-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 333.816, 161.095, 84.999 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 47.888 - 2.848 |
| R-factor | 0.217 |
| Rwork | 0.216 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iuw |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.920 |
| High resolution limit [Å] | 2.848 | 2.848 |
| Rmerge | 0.092 | |
| Number of reflections | 103830 | 5374 |
| <I/σ(I)> | 13.9 | 5.4 |
| Completeness [%] | 98.3 | 99.8 |
| Redundancy | 5.4 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 24% PEG-1000, 100 mM Tris-HCl (pH 7.0), 2 mM IAA, and 5 mM NAD+ |
