2QHC
The Influence of I47A Mutation on Reduced Susceptibility to the Protease Inhibitor Lopinavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-01-26 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.576, 62.576, 81.934 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.150 - 2.802 |
| R-factor | 0.19277 |
| Rwork | 0.191 |
| R-free | 0.22774 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z54 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.353 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.150 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.103 | 0.391 |
| Number of reflections | 4543 | |
| <I/σ(I)> | 12.7 | 3.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 0.5M (NH4)2SO4, 0.1M MES pH 5.4 or pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
