4MOD
Structure of the MERS-CoV fusion core
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 | 2013-07-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.03906 |
| Spacegroup name | P 3 |
| Unit cell lengths | 42.816, 42.816, 75.566 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.783 - 1.901 |
| R-factor | 0.1862 |
| Rwork | 0.185 |
| R-free | 0.21350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wnc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.033 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.156 |
| Number of reflections | 12172 | |
| <I/σ(I)> | 18.442 | 11.717 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 4.5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M BIS-TRIS, 25%(w/v) Polyethylene glycol 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
