7E6N
Crystal structure of HCoV-NL63 3C-like protease,pH5.2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-01-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.350, 83.211, 64.052 |
Unit cell angles | 90.00, 108.65, 90.00 |
Refinement procedure
Resolution | 60.689 - 1.841 |
R-factor | 0.185677482899 |
Rwork | 0.184 |
R-free | 0.21745 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tlo |
RMSD bond length | 0.007 |
RMSD bond angle | 0.902 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.690 | 1.890 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.046 | 0.162 |
Number of reflections | 54115 | 3745 |
<I/σ(I)> | 20.2 | |
Completeness [%] | 99.2 | |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1M sodium citrate tribasic dihydrate, 16% w/v Polyethylene glycol 3350, pH5.2 |