8X1F
Crystal structure of an omega-transaminase mutant from Aspergillus terreus with in complex with PLP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 94.436, 113.983, 101.424 |
| Unit cell angles | 90.00, 91.56, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.300 |
| R-factor | 0.22333 |
| Rwork | 0.221 |
| R-free | 0.26246 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.452 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMPLE |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.126 | 0.556 |
| Rmeas | 0.162 | 0.716 |
| Rpim | 0.100 | 0.446 |
| Number of reflections | 46471 | 4593 |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 97.6 | 98.4 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291.15 | 100 mM citrate buffer (pH 5.6) 200 mM ammonium acetate 30% (w/v) PEG-MME 4000 0.1 mM pyridoxal phosphate |
