9K7H
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with inhibitor 1872
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.175, 48.505, 75.897 |
| Unit cell angles | 90.00, 93.79, 90.00 |
Refinement procedure
| Resolution | 30.320 - 1.600 |
| R-factor | 0.2202 |
| Rwork | 0.219 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.082 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.220 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.062 | 0.417 |
| Rmeas | 0.068 | 0.479 |
| Rpim | 0.028 | 0.226 |
| Total number of observations | 246075 | 20033 |
| Number of reflections | 41739 | 4733 |
| <I/σ(I)> | 16.4 | 2.6 |
| Completeness [%] | 92.6 | |
| Redundancy | 5.9 | 4.2 |
| CC(1/2) | 0.999 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCl, pH 7.0, 25% w/v PEG3350 |
