9PVT
Crystal structure of HpsO in complex with HAS (hydroxyacetonesulfonate) from Cupriavidus pinatubonensis
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 80.121, 124.800, 51.470 |
| Unit cell angles | 90.00, 117.33, 90.00 |
Refinement procedure
| Resolution | 46.783 - 1.550 |
| Rwork | 0.162 |
| R-free | 0.18420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.519 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.783 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 64293 | 3174 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 99.1 | |
| Redundancy | 3.4 | |
| CC(1/2) | 1.000 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Tris-HCl (pH 8.0), 0.2 M NaCl or LiCl, 20-22% (w/v) PEG4000 |
