7DBE
Structure of a novel transaminase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.267, 141.074, 90.755 |
| Unit cell angles | 90.00, 100.11, 90.00 |
Refinement procedure
| Resolution | 46.850 - 1.900 |
| R-factor | 0.1622 |
| Rwork | 0.160 |
| R-free | 0.20130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wwh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.794 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.131 | 0.665 |
| Rmeas | 0.142 | 0.721 |
| Rpim | 0.053 | 0.267 |
| Number of reflections | 120439 | 6029 |
| <I/σ(I)> | 18.7 | 2.8 |
| Completeness [%] | 99.6 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.962 | 0.565 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2% v/v Tacsimate pH 7.0, 5% v/v 2-Propanol, 0.1M Imidazole pH 7.0, 8% w/v Polyethylene glycol 3350 |
