3MEE
HIV-1 Reverse Transcriptase in Complex with TMC278
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 119.568, 154.923, 153.501 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.930 - 2.400 |
R-factor | 0.224 |
Rwork | 0.222 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sv5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.059 | 0.469 |
Number of reflections | 54926 | |
<I/σ(I)> | 15.9 | 2.8 |
Completeness [%] | 98.2 | 98 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |