4H5S
Complex structure of Necl-2 and CRTAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 91.042, 91.042, 56.684 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.800 - 1.700 |
| R-factor | 0.1674 |
| Rwork | 0.165 |
| R-free | 0.20650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.095 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 29635 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.15 M ammonium sulfate, 0.1 M Na-HEPES, and 20% PEG 4000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
