8XIY
Crystal structure of an omega-transaminase mutant I77L/Q97E/H210N/N245D from Aspergillus terreus in complex with PLP
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 | 2023-11-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.420, 135.790, 116.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.881 - 2.090 |
| R-factor | 0.1733 |
| Rwork | 0.171 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.818 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMPLE |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.881 | 9.350 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.104 | 0.875 |
| Rmeas | 0.114 | 0.987 |
| Rpim | 0.034 | 0.441 |
| Number of reflections | 49080 | 3025 |
| <I/σ(I)> | 16.4 | 1.6 |
| Completeness [%] | 97.5 | 82.9 |
| Redundancy | 5.5 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | 100 mM citrate buffer (pH 7.5) 200 mM ammonium acetate 4% (w/v) PEG-MME 8000 1 mM pyridoxal phosphate |
