2Z54
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 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.254, 62.254, 82.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.920 - 2.310 |
| R-factor | 0.20215 |
| Rwork | 0.199 |
| R-free | 0.25407 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u8g |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.510 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.420 | |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.455 |
| Number of reflections | 7953 | |
| <I/σ(I)> | 14.9 | 3 |
| Completeness [%] | 97.8 | 84.9 |
| Redundancy | 4.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
