3DRS
HIV reverse transcriptase K103N mutant in complex with inhibitor R8D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.550, 154.630, 154.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.500 - 3.150 |
R-factor | 0.1874 |
Rwork | 0.184 |
R-free | 0.25000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2rf2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.355 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 3.260 |
High resolution limit [Å] | 3.150 | 3.150 |
Number of reflections | 24713 | |
<I/σ(I)> | 3.2 | |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 298 | sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K |