2WKZ
HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2005-07-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.420, 86.080, 46.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.700 |
| R-factor | 0.2288 |
| Rwork | 0.229 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d4j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.262 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.790 | |
| High resolution limit [Å] | 1.700 | |
| Rmerge | 0.100 | 0.200 |
| Number of reflections | 26363 | |
| <I/σ(I)> | 5.2 | 4.2 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | PROTEASE 2 MG/ML PRECIPITANT 0.7 M NACL, 100 MM MES PH 5.5 |
