5FDL
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.260, 154.790, 154.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.150 - 3.100 |
| R-factor | 0.24549 |
| Rwork | 0.243 |
| R-free | 0.29866 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ko0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.094 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.150 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.157 | 0.831 |
| Number of reflections | 26048 | |
| <I/σ(I)> | 6.6 | 1.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein was concentrated to 14 mg/ml in the presence of 0.5 mM inhibitor A051606P then used in successive crystal micro-seeding experiments to yield protein crystals of 0.3 mm x 0.3 mm x 0.2 mm in 1.4 M Sodium Malonate. |
