3DMJ
CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-04-22 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 137.190, 108.990, 71.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.780 - 2.600 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dlg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.084 | 0.717 |
Number of reflections | 33883 | |
<I/σ(I)> | 14.6 | 1.3 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 6.6 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |