3E01
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979462 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.897, 152.277, 153.987 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.830 - 2.950 |
| Rwork | 0.235 |
| R-free | 0.27906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.009 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.600 | 3.060 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Number of reflections | 27713 | |
| <I/σ(I)> | 18.5 | 1.59 |
| Completeness [%] | 93.8 | 64.5 |
| Redundancy | 5.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 1.4 M SODIUM MALONATE, 50 mM POTASSIUM PHOSPHATE pH 7.2, 5% ETHYLENE GLYCOL, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
