6DJ2
HIV-1 protease with single mutation L76V in complex with Lopinavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 60.011, 85.377, 46.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.000 - 1.360 |
R-factor | 0.1481 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nu3 |
RMSD bond length | 0.011 |
RMSD bond angle | 0.028 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.410 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.044 | 0.310 |
Number of reflections | 47855 | 2767 |
<I/σ(I)> | 30.8 | 3.3 |
Completeness [%] | 91.9 | 53.9 |
Redundancy | 6.1 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.9 M NaCl, 5% DMSO, 0.1 M citrate phosphate |