3VTQ
Novel HIV fusion inhibitor
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 | 2012-05-21 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.990, 47.858, 109.891 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.088 - 1.530 |
| R-factor | 0.1973 |
| Rwork | 0.196 |
| R-free | 0.21780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vie |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.826 |
| Data reduction software | XDS (package) |
| Data scaling software | XDS (package) |
| Phasing software | PHASER (MR) |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.088 | 1.620 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.036 | 0.381 |
| Number of reflections | 34063 | |
| <I/σ(I)> | 17.37 | 4.23 |
| Completeness [%] | 98.7 | 98.3 |
| Redundancy | 3.33 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.14M calcium chloride, 0.1M sodium acetate, 18 %(v/v) isopropanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
