6DJ2
HIV-1 protease with single mutation L76V in complex with Lopinavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.011, 85.377, 46.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 1.360 |
| R-factor | 0.1481 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nu3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.410 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.044 | 0.310 |
| Number of reflections | 47855 | 2767 |
| <I/σ(I)> | 30.8 | 3.3 |
| Completeness [%] | 91.9 | 53.9 |
| Redundancy | 6.1 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.9 M NaCl, 5% DMSO, 0.1 M citrate phosphate |
