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 |