3VU5
Short peptide HIV entry Inhibitor SC22EK
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 | 45.281, 45.281, 183.218 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.805 - 2.087 |
| R-factor | 0.2342 |
| Rwork | 0.233 |
| R-free | 0.26520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1env |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.399 |
| 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] | 45.805 | 2.210 |
| High resolution limit [Å] | 2.087 | 2.090 |
| Rmerge | 0.052 | 0.151 |
| Number of reflections | 7093 | |
| <I/σ(I)> | 21.92 | 3.59 |
| Completeness [%] | 95.0 | 72.3 |
| Redundancy | 7 | 1.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 295 | 0.2M ammonium sulphate, 0.1M sodium acetate, 24% PEG4000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
