4MC9
HIV protease in complex with AA74
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.710, 85.820, 46.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.910 - 1.190 |
| R-factor | 0.1906 |
| Rwork | 0.191 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.820 | 85.820 | 1.250 |
| High resolution limit [Å] | 1.187 | 3.750 | 1.187 |
| Rmerge | 0.020 | 0.531 | |
| Total number of observations | 16100 | 69313 | |
| Number of reflections | 76112 | ||
| <I/σ(I)> | 20.1 | 26.5 | 1.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.4 | 6.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.7 M sodium chloride, 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
