6J11
MERS-CoV spike N-terminal domain and 7D10 scFv complex
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 | 2018-03-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.571, 180.355, 245.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.314 - 3.000 |
R-factor | 0.1894 |
Rwork | 0.188 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x4r |
RMSD bond length | 0.012 |
RMSD bond angle | 1.409 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155: ???) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.070 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 96015 | 9478 |
<I/σ(I)> | 21.2 | |
Completeness [%] | 99.9 | |
Redundancy | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M potassium sodium tartrate, 0.1 M Sodium citrate pH 5.6, 2.0 M Ammonium sulfate and 10% (v/v) of the additive Acetonitrile (40% v/v) |