9CP8
Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with product (R-sulfolactate) and NADH
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 | 2024-06-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.078, 75.592, 84.995 |
| Unit cell angles | 90.00, 117.28, 90.00 |
Refinement procedure
| Resolution | 37.880 - 1.570 |
| Rwork | 0.149 |
| R-free | 0.17580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.543 |
| 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] | 41.510 | 1.600 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 129685 | 6020 |
| <I/σ(I)> | 13.9 | 2.4 |
| Completeness [%] | 99.4 | |
| Redundancy | 3.8 | |
| CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, BIS-TRIS, lithium sulfate |
