4KR0
Complex structure of MERS-CoV spike RBD bound to CD26
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 | 2013-04-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 110.224, 110.224, 527.599 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.850 - 2.702 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2BGR and 4KQZ |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.115 | 0.639 |
| Number of reflections | 53576 | |
| <I/σ(I)> | 18.68 | 3.688 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.6 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 6% v/v 2-propanol, 0.1M sodium acetate pH4.5, 26% PEG 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
