3TOF
HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.2 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.294, 58.392, 61.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.560 - 1.450 |
| R-factor | 0.18722 |
| Rwork | 0.184 |
| R-free | 0.24574 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2nmz |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.967 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.560 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.073 | 0.046 |
| Number of reflections | 31849 | |
| <I/σ(I)> | 10.4 | 1.9 |
| Completeness [%] | 96.1 | |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Ammonium sulfate 40%, DMSO 10%, sodium citrate 0.25M, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
