6QGM
VirX1 apo structure
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 | 2016-12-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.133, 172.979, 110.425 |
| Unit cell angles | 90.00, 112.89, 90.00 |
Refinement procedure
| Resolution | 87.940 - 2.750 |
| R-factor | 0.2179 |
| Rwork | 0.216 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2weu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.443 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 172.979 | 172.979 | 2.800 |
| High resolution limit [Å] | 2.750 | 7.472 | 2.753 |
| Rmerge | 0.100 | 0.041 | 0.589 |
| Rmeas | 0.119 | 0.049 | 0.696 |
| Rpim | 0.064 | 0.027 | 0.367 |
| Number of reflections | 89551 | 4470 | 4467 |
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 99.1 | 96.9 | 99.5 |
| Redundancy | 3.4 | 3.3 | 3.5 |
| CC(1/2) | 0.994 | 0.996 | 0.697 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10.43 mg/mL 0.1 M Tris HCl pH 8.5 0.2 M magnesium chloride hexahydrate 30% w/v polyethylene glycol 4,000 |
