3EM6
Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-03-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.140, 57.891, 61.364 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.260 - 2.100 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.24000 |
| Starting model (for MR) | 1f7a |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.151 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.092 | 0.036 | 0.461 |
| Number of reflections | 10762 | ||
| <I/σ(I)> | 11.443 | ||
| Completeness [%] | 96.6 | 94 | 95.6 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 300 | pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
