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 |