4E5K
Thermostable phosphite dehydrogenase in complex with NAD and sulfite
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Detector technology | CCD |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.060, 114.180, 88.310 |
| Unit cell angles | 90.00, 112.33, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.950 |
| R-factor | 0.22141 |
| Rwork | 0.219 |
| R-free | 0.26677 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 12X Phosphite dehydrogenase E175A mutant |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.453 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.068 | 0.410 |
| Number of reflections | 95305 | |
| <I/σ(I)> | 16.27 | 3.2 |
| Completeness [%] | 97.8 | 84.9 |
| Redundancy | 4.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 285 | 25-30% PEG 3350, 100 mM KCl, 5 mM NAD, 5 mM sulfite, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
