3DOK
Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 136.940, 109.770, 72.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.790 - 2.900 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.31200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dle |
RMSD bond length | 0.012 |
RMSD bond angle | 1.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.105 | 0.762 |
Number of reflections | 24821 | |
<I/σ(I)> | 13.2 | 1.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.1 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |