5ZXV
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | H 3 |
| Unit cell lengths | 138.647, 138.647, 228.736 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.438 - 4.482 |
| R-factor | 0.3104 |
| Rwork | 0.307 |
| R-free | 0.34300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l72 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.975 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.600 |
| High resolution limit [Å] | 4.482 | 4.500 |
| Rmerge | 0.108 | |
| Number of reflections | 9351 | 9351 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 96.8 | 97.8 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 2%(v/v) tacsimate pH 5.0, 0.1M sodium citrate tribasic dihydrate pH 5.6, 16%(w/v) polyethylene glycol 3,350 and 2M sodium thiocyanate |
