8WWD
Crystal structure of (S)-DHPS dehydrogenase HpsP from Dinoroseobacter shibae DFL 12
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 | 2021-05-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.183, 290.538, 54.277 |
| Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
| Resolution | 48.470 - 2.300 |
| R-factor | 0.21161 |
| Rwork | 0.209 |
| R-free | 0.25766 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.677 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.470 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.174 | 0.361 |
| Rpim | 0.072 | 0.144 |
| Number of reflections | 56544 | 5608 |
| <I/σ(I)> | 8.79 | 4.42 |
| Completeness [%] | 99.2 | 98.54 |
| Redundancy | 6.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 18% PEG 3350, 0.2 M sodium formate |
