8WWE
Crystal structure of (R)-DHPS dehydrogenase HpsN from Ruegeria pomeroyi DSS-3
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 | 2021-07-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 68.045, 122.865, 210.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.200 - 2.900 |
R-factor | 0.243 |
Rwork | 0.242 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.843 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.200 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.200 | 1.191 |
Number of reflections | 39957 | 3932 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 1.1M ammonium sulfate, 0.1M tris |