4E5P
Thermostable phosphite dehydrogenase A176R variant in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.298, 122.263, 134.322 |
| Unit cell angles | 90.00, 96.43, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.20161 |
| Rwork | 0.200 |
| R-free | 0.24138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Thermostable phosphite dehydrogenase E175A variant |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.205 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0056) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.339 |
| Number of reflections | 171899 | |
| <I/σ(I)> | 17.8 | 3.5 |
| Completeness [%] | 97.6 | 89.6 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | 25-30% PEG 3350, 100 mM KCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
