4I7F
HIV-1 Reverse Transcriptase in complex with a phosphonate analog of nevirapine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-03-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.319, 154.703, 154.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
Rwork | 0.221 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vrt |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | EPMR |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.550 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.050 | 0.494 |
<I/σ(I)> | 31 | 3.6 |
Completeness [%] | 97.7 | 92.8 |
Redundancy | 4.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.4M ammonium sulfate, 100mM cacodylate pH 6.5, 50mM NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |