7BF4
Crystal structure of SARS-CoV-2 macrodomain in complex with GMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 41 |
Unit cell lengths | 72.529, 72.529, 33.346 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.260 - 1.550 |
R-factor | 0.1401 |
Rwork | 0.138 |
R-free | 0.17430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ywk |
RMSD bond length | 0.018 |
RMSD bond angle | 1.686 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.260 | 36.260 | 1.600 |
High resolution limit [Å] | 1.550 | 6.000 | 1.550 |
Rmerge | 0.064 | 0.058 | 0.349 |
Rmeas | 0.076 | 0.062 | 0.455 |
Rpim | 0.030 | 0.024 | 0.244 |
Number of reflections | 25315 | 484 | 2287 |
<I/σ(I)> | 13.8 | 2.6 | |
Completeness [%] | 99.2 | 99.7 | 92.8 |
Redundancy | 6.1 | 6.7 | 3.3 |
CC(1/2) | 0.998 | 0.997 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293.15 | 30% PEG 4000, 0.2 M sodium acetate, 0.1 MgCl2, 0.1 M tris, pH 8.3 |