3K4V
New crystal form of HIV-1 Protease/Saquinavir structure reveals carbamylation of N-terminal proline
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 | 2008-04-11 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.205, 62.673, 59.076 |
| Unit cell angles | 90.00, 98.42, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.390 |
| R-factor | 0.1593 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a1e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.028 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.710 | 1.470 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.084 | 0.354 |
| Number of reflections | 72637 | |
| <I/σ(I)> | 9.7 | 2 |
| Completeness [%] | 97.8 | 80.5 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | AMMONIUM SULFATE, DMSO, SODIUM CITRATE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
