6C6Z
Crystal structure of potent neutralizing antibody CDC2-C2 in complex with MERS-CoV S1 RBD
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 | 2017-07-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.819, 166.850, 184.819 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.652 - 2.100 |
R-factor | 0.1925 |
Rwork | 0.191 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xak |
RMSD bond length | 0.005 |
RMSD bond angle | 0.728 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.652 | 47.650 | 2.140 |
High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
Rmerge | 0.128 | 0.067 | 1.223 |
Rmeas | 0.140 | 0.073 | 1.331 |
Rpim | 0.054 | 0.030 | 0.510 |
Number of reflections | 107760 | 786 | 5202 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 97.7 | 98.1 | 97.3 |
Redundancy | 6.3 | 6.4 | 6.4 |
CC(1/2) | 0.995 | 0.995 | 0.695 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.5 | 293 | 0.1 M Tris, pH 6.5, 10% (vol/vol) 2-propanol, and 10% (wt/wt) PEG 3350 |