2UXZ
Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary- Alcohol-Containing Transition-State Mimic
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] | 108 |
| Detector technology | CCD |
| Collection date | 2006-10-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.160, 86.660, 46.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.760 - 1.750 |
| Rwork | 0.202 |
| R-free | 0.21300 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.740 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.760 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.140 |
| Number of reflections | 293533 | |
| <I/σ(I)> | 8 | 5.2 |
| Completeness [%] | 86.9 | 85.8 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.7 M NACL, 100 MM MES PH5.0 |
