3PSU
HIV-1 protease in complex with an isobutyl decorated oligoamine (symmetric binding mode)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.652, 62.652, 82.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.822 - 2.070 |
| R-factor | 0.1891 |
| Rwork | 0.184 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zga |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.112 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.130 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 6294 | |
| <I/σ(I)> | 22.2 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 3.0M NaCl, 0.1M BIS-TRIS, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
