5VOC
Crystal structure of HCMV Pentamer in complex with neutralizing antibody 8I21 - Low resolution dataset for initial phasing by SAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 124.415, 146.532, 190.947 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.060 - 3.990 |
| R-factor | 0.26 |
| Rwork | 0.259 |
| R-free | 0.27600 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.060 | 4.100 |
| High resolution limit [Å] | 3.990 | 3.990 |
| Number of reflections | 30299 | 65700 |
| <I/σ(I)> | 14 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.6 | 15.1 |
| CC(1/2) | 0.990 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 10% (wt/vol) PEG400 10% isopropanol 2% (wt/vol) benzamidine 0.1M Tris pH 8.2 |
