9CP7
Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with product analogue (L-cysteate) 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 | 82.931, 76.339, 85.076 |
| Unit cell angles | 90.00, 117.04, 90.00 |
Refinement procedure
| Resolution | 43.898 - 1.751 |
| Rwork | 0.148 |
| R-free | 0.17740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.534 |
| 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] | 43.898 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 94390 | 4448 |
| <I/σ(I)> | 10.6 | 1.7 |
| Completeness [%] | 99.2 | |
| Redundancy | 2.9 | |
| CC(1/2) | 1.000 | 0.740 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, BIS-TRIS, lithium sulfate |
