6R8C
HIV capsid hexamer with IP5 ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-04 |
| Detector | OXFORD SAPPHIRE CCD |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.663, 90.663, 56.997 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.690 - 1.920 |
| R-factor | 0.19308 |
| Rwork | 0.191 |
| R-free | 0.23426 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6es8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.652 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.520 | 1.980 |
| High resolution limit [Å] | 1.913 | 1.930 |
| Rmerge | 0.056 | 0.620 |
| Number of reflections | 20758 | 1240 |
| <I/σ(I)> | 17.7 | 2.6 |
| Completeness [%] | 99.3 | 90 |
| Redundancy | 6.5 | 6 |
| CC(1/2) | 0.998 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 270 | PEG 6K, 1M NaCl |
