6TB1
Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-19 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 43 |
| Unit cell lengths | 98.924, 98.924, 120.276 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.740 - 1.850 |
| R-factor | 0.1577 |
| Rwork | 0.156 |
| R-free | 0.18670 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6g4b |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.439 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | REFMAC (5.8.0257) |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.790 | 45.740 | 1.880 |
| High resolution limit [Å] | 1.850 | 10.130 | 1.850 |
| Rmerge | 0.069 | 0.040 | 1.208 |
| Rmeas | 0.075 | 0.043 | 1.323 |
| Rpim | 0.030 | 0.018 | 0.534 |
| Total number of observations | 3472 | 29557 | |
| Number of reflections | 98464 | 619 | 4860 |
| <I/σ(I)> | 13 | 33.8 | 1.5 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 5.9 | 5.6 | 6.1 |
| CC(1/2) | 0.999 | 0.997 | 0.569 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | Succinic acid |
