4KQZ
structure of the receptor binding domain (RBD) of MERS-CoV spike
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) | 1.03818 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.977, 108.473, 125.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.813 - 2.514 |
| R-factor | 0.2101 |
| Rwork | 0.208 |
| R-free | 0.25090 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.936 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.095 | 0.659 |
| Number of reflections | 22536 | |
| <I/σ(I)> | 21.614 | 4.308 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.7 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1M ammonium tartrate dibasic pH7.0, 12% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
