2IC3
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-10-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 223.210, 67.610, 103.580 |
Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
Resolution | 19.900 - 3.000 |
Rwork | 0.257 |
R-free | 0.31000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s6q |
RMSD bond length | 0.013 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 3.110 |
High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
Rmerge | 0.046 | 0.023 | 0.287 |
Number of reflections | 26685 | ||
<I/σ(I)> | 24.5 | ||
Completeness [%] | 90.1 | 88.3 | 73.4 |
Redundancy | 3.4 | 4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | PEG 8000, BIS_TRIS PROPANE, AMMONIUM SULFATE, GLYCEROL, MNCL2, HBY 097, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |