3KDB
Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-04-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.627, 85.907, 46.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.450 - 1.660 |
| R-factor | 0.2141 |
| Rwork | 0.212 |
| R-free | 0.25502 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1msm |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.566 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.450 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 24519 | |
| <I/σ(I)> | 45.6 | 3.9 |
| Completeness [%] | 85.9 | 100 |
| Redundancy | 5.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | citrate buffer pH 6.2, NaCl 500 mM, 100 mM DTT, 3mM NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
