8QUY
Hexameric HIV-1 CA in complex with DDD01728501
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 | 2017-05-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.760, 90.760, 57.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.380 - 1.880 |
| R-factor | 0.18117 |
| Rwork | 0.179 |
| R-free | 0.21524 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.979 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.380 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.090 | 1.030 |
| Number of reflections | 21682 | 1069 |
| <I/σ(I)> | 12.4 | 1.6 |
| Completeness [%] | 99.9 | 98.1 |
| Redundancy | 5.4 | 4.6 |
| CC(1/2) | 0.990 | 0.520 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN |
