6PXH
Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab
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 | 2018-02-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.989, 63.860, 186.778 |
Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
Resolution | 52.710 - 2.300 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.6.1) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.713 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.113 | 0.827 |
Rmeas | 0.132 | 0.971 |
Rpim | 0.067 | 0.501 |
Total number of observations | 15738 | |
Number of reflections | 88863 | 4484 |
<I/σ(I)> | 7 | 1.9 |
Completeness [%] | 98.2 | 98 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.993 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M imidazole pH 6.5, 0.2 M Li2SO4, 19% polyethylene glycol (PEG) 3350, 6% 2-methyl-2,4-pentanediol (MPD) |