4FAE
Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Detector technology | CCD |
| Collection date | 2011-07-25 |
| Detector | RAYONIX MX325HE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 28.615, 63.851, 91.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.20345 |
| Rwork | 0.200 |
| R-free | 0.27864 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.412 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.290 | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.114 | 0.069 | 0.451 |
| Number of reflections | 7945 | ||
| <I/σ(I)> | 10 | ||
| Redundancy | 4 | 3.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | 0.1 M citric acid, 2.4 M ammonium sulfate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
