4TVH
HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-05 |
| Detector | APEX II CCD |
| Wavelength(s) | 1.5418 A |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.916, 66.295, 92.175 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.190 - 2.195 |
| R-factor | 0.1871 |
| Rwork | 0.184 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kfr |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.948 |
| Data reduction software | PROTEUM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.820 | 2.240 |
| High resolution limit [Å] | 2.195 | 2.195 |
| Rmerge | 0.340 | |
| Number of reflections | 9437 | |
| <I/σ(I)> | 10.02 | 2.29 |
| Completeness [%] | 98.3 | |
| Redundancy | 3.6 | 1.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.4M NaFormate, 10% DMSO, pH4.6 NaOAc |
