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 |