4I2L
New HIV entry inhibitor MTSFT/T23 complex
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 | H 3 2 |
| Unit cell lengths | 43.948, 43.948, 238.439 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.584 - 1.426 |
| R-factor | 0.2173 |
| Rwork | 0.216 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vie |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.566 |
| 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] | 37.584 | 1.510 |
| High resolution limit [Å] | 1.426 | 1.430 |
| Rmerge | 0.026 | 0.447 |
| Number of reflections | 17074 | |
| <I/σ(I)> | 24.76 | 3.07 |
| Completeness [%] | 99.6 | 98.1 |
| Redundancy | 5.03 | 4.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 295 | 0.1M MES pH 6.4, 26 %(v/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
