4KO0
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-09 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.209, 73.950, 109.202 |
| Unit cell angles | 90.00, 100.23, 90.00 |
Refinement procedure
| Resolution | 29.310 - 1.950 |
| R-factor | 0.238 |
| Rwork | 0.237 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s9e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.058 | 0.825 |
| Number of reflections | 91737 | |
| <I/σ(I)> | 12.3 | 1.3 |
| Completeness [%] | 98.8 | 99.1 |
| Redundancy | 3.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 277 | PEG 8000, AMMONIUM SULFATE, MGCL2, IMIDAZOLE , pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
