6Z4U
X-ray Crystallographic Structure of Orf9b from SARS-CoV-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979329 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.030, 64.571, 73.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.770 - 1.950 |
R-factor | 0.2194 |
Rwork | 0.217 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cme |
RMSD bond length | 0.009 |
RMSD bond angle | 1.704 |
Data reduction software | DIALS (2.2.4-g04de204b4-release) |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP (11.7.02) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.770 | 36.770 | 1.990 |
High resolution limit [Å] | 1.950 | 8.920 | 1.950 |
Rmerge | 0.123 | 0.080 | 0.783 |
Rmeas | 0.133 | 0.089 | 0.838 |
Rpim | 0.050 | 0.036 | 0.291 |
Number of reflections | 13064 | 174 | 877 |
<I/σ(I)> | 8.5 | ||
Completeness [%] | 99.3 | 99.4 | 95.1 |
Redundancy | 7.4 | 5.9 | 7.6 |
CC(1/2) | 0.934 | 0.992 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | Protein at 8.3 mg/ml in 20 mM Tris pH 7.0 150 mM NaCl, 1mM DTT was mixed in a 3:2 ratio with the MORPHEUS crystallization screen condition E4 (Tube 2-4; 0.12 M Ethylene glycols 0.1 M Buffer System 1 pH 6.5 37.5 % v/v Precipitant Mix 4) |