3JSM
K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with tenofovir-diphosphate as the incoming nucleotide substrate
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 | 2007-06-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9179 |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 170.310, 170.310, 155.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.170 - 3.000 |
R-factor | 0.252 |
Rwork | 0.252 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t05 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.156 | 0.563 |
Number of reflections | 49501 | |
<I/σ(I)> | 5.6 | |
Completeness [%] | 95.8 | 82.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | 10% PEG 8000, 100 MM AMMONIUM SULFATE, 20 MM MGCL2, 5% GLYCEROL, 5% SUCROSE, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |