3VU6
Short peptide HIV entry inhibitor MT-SC22EK with a M-T hook
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 44.910, 44.910, 182.908 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.893 - 2.324 |
| R-factor | 0.2173 |
| Rwork | 0.216 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1env |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.147 |
| Data reduction software | XDS (package) |
| Data scaling software | XDS (package) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.893 | 2.460 |
| High resolution limit [Å] | 2.324 | 2.320 |
| Rmerge | 0.084 | 0.302 |
| Number of reflections | 5295 | |
| <I/σ(I)> | 18.58 | 5.79 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 9.8 | 9.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.22M lithium sulphate, 0.1M Tris, 26% PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
