4LH9
Crystal structure of the refolded hood domain (Asp256-Gly295) of HetR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 92.907, 92.907, 36.897 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.453 - 2.049 |
| R-factor | 0.2758 |
| Rwork | 0.272 |
| R-free | 0.36060 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.343 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.049 | 2.050 |
| Rmerge | 0.103 | 0.656 |
| Number of reflections | 3962 | |
| <I/σ(I)> | 21.4 | 3.3 |
| Completeness [%] | 98.3 | 97.4 |
| Redundancy | 13.9 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.15M NaAc, 0.1M Nacacodylate, 27% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
