3KBH
Crystal structure of NL63 respiratory coronavirus receptor-binding domain complexed with its human receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.255 |
Spacegroup name | P 43 |
Unit cell lengths | 77.764, 77.764, 631.095 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.010 - 3.310 |
R-factor | 0.26979 |
Rwork | 0.268 |
R-free | 0.29973 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.577 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.076 | 0.351 |
Number of reflections | 54947 | |
<I/σ(I)> | 2.6 | |
Completeness [%] | 99.0 | 98.5 |
Redundancy | 4.3 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 285 | 20% PEG 6000, 100 mM Na citrate pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 285K |