2WL0
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 I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 180 |
| Collection date | 2008-02-13 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.330, 85.950, 46.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.2146 |
| Rwork | 0.215 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d4j |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.197 |
| 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] | 15.800 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.110 |
| Number of reflections | 15805 | |
| <I/σ(I)> | 20.4 | 10 |
| Completeness [%] | 86.0 | 87.7 |
| Redundancy | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 2 MG/ML PROTEASE, 0.7 M NACL, 100 MM MES PH5.5 |
