6QHN
Metagenome-derived salicylaldehyde dehydrogenase from alpine soil in complex with protocatechuic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97629 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.839, 121.728, 318.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.670 - 1.900 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jz6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS (Jun 1, 2017) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.890 | 29.890 | 1.930 |
| High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
| Rmerge | 0.130 | 0.045 | 1.648 |
| Rmeas | 0.144 | 0.050 | 1.817 |
| Rpim | 0.061 | 0.022 | 0.758 |
| Number of reflections | 177084 | 1146 | 8606 |
| <I/σ(I)> | 8.7 | 28 | 1 |
| Completeness [%] | 99.9 | 95.6 | 98.7 |
| Redundancy | 5.6 | 4.8 | 5.7 |
| CC(1/2) | 0.997 | 0.997 | 0.392 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1 M sodium acetate pH 4.6 and 8 % w/v PEG 8000 |
