5ZUB
Crystal structure of MERS-CoV macro domain in complex with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.449, 39.288, 45.074 |
| Unit cell angles | 90.00, 102.14, 90.00 |
Refinement procedure
| Resolution | 28.207 - 1.677 |
| R-factor | 0.1618 |
| Rwork | 0.158 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dus |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.921 |
| 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] | 28.207 | 1.740 |
| High resolution limit [Å] | 1.677 | 1.680 |
| Number of reflections | 16019 | |
| <I/σ(I)> | 16.262 | 4.55 |
| Completeness [%] | 98.6 | 99.6 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 1.6M sodium citrate, 0.1M HEPES sodium pH 7.5 |
