3DI6
HIV-1 RT with pyridazinone non-nucleoside inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-08-01 |
| Wavelength(s) | 0.976067 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.046, 153.510, 154.551 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.880 - 2.650 |
| Rwork | 0.217 |
| R-free | 0.26537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.068 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 40591 | |
| <I/σ(I)> | 45 | 8.6 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 1.15 M sodium malonate, 50 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
