9S1Q
Crystal structure of the DABA transaminase EctB from the halophilic and cold-adapted Marinobacter sp. CK1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-15 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.648, 99.332, 112.698 |
| Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
| Resolution | 40.130 - 2.000 |
| R-factor | 0.16752 |
| Rwork | 0.165 |
| R-free | 0.20815 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.177 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.530 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.773 |
| Number of reflections | 115468 | 5716 |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.991 | 0.451 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M bisTRIS propane pH 8, 0.2 M disodium malonate, 19.6 % PEG3350 (w/v). |
