6MEB
Crystal structure of Tylonycteris bat coronavirus HKU4 macrodomain in complex with nicotinamide adenine dinucleotide (NAD+)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.607, 41.561, 59.912 |
| Unit cell angles | 73.42, 88.56, 88.43 |
Refinement procedure
| Resolution | 33.590 - 1.800 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6mea |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.365 |
| Data reduction software | DIALS (1.dev.877) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.590 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.088 | 0.166 |
| Rmeas | 0.101 | 0.206 |
| Rpim | 0.051 | 0.118 |
| Number of reflections | 28245 | 1381 |
| <I/σ(I)> | 9.3 | 4.3 |
| Completeness [%] | 98.1 | 82 |
| Redundancy | 3.6 | 2.4 |
| CC(1/2) | 0.992 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 20-25% PEG3350, 0.1 M HEPES, pH 7.0-7.5, protein:ligand molar ratio 1:10 |
