5Z75
Artificial L-threonine 3-dehydrogenase designed by ancestral sequence reconstruction.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.556, 112.694, 92.896 |
| Unit cell angles | 90.00, 93.67, 90.00 |
Refinement procedure
| Resolution | 92.700 - 2.100 |
| R-factor | 0.19491 |
| Rwork | 0.193 |
| R-free | 0.23513 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wmx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.700 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.087 | 0.428 |
| Number of reflections | 73459 | 3652 |
| <I/σ(I)> | 32.5 | 5.6 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG3350, 0.2M potassium phosphate monobasic |
