5ZU9
Crystal structure of MERS-CoV macro domain in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.421, 39.423, 45.514 |
| Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
| Resolution | 28.239 - 1.499 |
| R-factor | 0.1528 |
| Rwork | 0.150 |
| R-free | 0.17720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dus |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.894 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.239 | 1.536 |
| High resolution limit [Å] | 1.499 | 1.499 |
| Number of reflections | 23151 | |
| <I/σ(I)> | 21.837 | 2.941 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.835 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 1.6M sodium citrate, 0.1M HEPES sodium pH7.5 |
