3M9F
HIV protease complexed with compound 10b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-27 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.173, 85.934, 46.134 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.23000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.344 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.106 | 0.039 | 0.379 |
| Number of reflections | 20865 | ||
| <I/σ(I)> | 7.2 | ||
| Completeness [%] | 94.3 | 90.6 | 92.6 |
| Redundancy | 3.3 | 2.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 5.3 | 298 | NaCl, pH 5.3, hanging drop, temperature 298K |
