6J88
Crystal structure of HinD with benzo[b]thiophen analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-26 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.933, 150.354, 55.860 |
| Unit cell angles | 90.00, 115.98, 90.00 |
Refinement procedure
| Resolution | 47.631 - 2.350 |
| R-factor | 0.1855 |
| Rwork | 0.166 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6j82 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.258 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.631 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.182 | 0.536 |
| Number of reflections | 29547 | 2923 |
| <I/σ(I)> | 3.1 | 1.6 |
| Completeness [%] | 98.1 | 98.1 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.947 | 0.456 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM MES (pH 6.5) containing 1200 mM (NH4)2HPO4 and 100 mM NaCl |
