6Z6I
SARS-CoV-2 Macrodomain in complex with ADP-HPD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976230 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.816, 83.096, 84.363 |
Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
Resolution | 59.631 - 2.000 |
R-factor | 0.2315 |
Rwork | 0.229 |
R-free | 0.27860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6z5t |
Data reduction software | xia2 |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.100 | 83.100 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.299 | 0.069 | 1.462 |
Rmeas | 0.348 | 0.080 | 1.706 |
Rpim | 0.176 | 0.040 | 0.868 |
Total number of observations | 208136 | 2522 | 15055 |
Number of reflections | 55826 | 668 | 4077 |
<I/σ(I)> | 2.6 | 6.1 | 0.8 |
Completeness [%] | 99.9 | 99.7 | 99.4 |
Redundancy | 3.7 | 3.8 | 3.7 |
CC(1/2) | 0.966 | 0.994 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.9 M DL-Malic Acid 5% (v/v) glycerol |