3VTP
HIV fusion inhibitor MT-C34
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-25 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 45.260, 45.260, 209.895 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.403 - 1.900 |
| R-factor | 0.1969 |
| Rwork | 0.195 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vgx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.758 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER (MR) |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.403 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.053 | 0.261 |
| Number of reflections | 6812 | |
| <I/σ(I)> | 18.4 | 3.2 |
| Completeness [%] | 98.4 | 87.4 |
| Redundancy | 5.64 | 2.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 295 | 0.1M MES, 12 %(w/v) PEG 10000, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
