3OGQ
Crystal Structure of 6s-98S FIV Protease with Lopinavir bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-22 |
Detector | MARmosaic325 |
Wavelength(s) | 0.97945 |
Spacegroup name | P 31 |
Unit cell lengths | 81.790, 81.790, 33.940 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.840 - 1.800 |
R-factor | 0.2276 |
Rwork | 0.225 |
R-free | 0.27940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.408 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.840 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.051 | 0.401 |
Number of reflections | 21978 | |
<I/σ(I)> | 10.9 | 2 |
Completeness [%] | 93.5 | 84.9 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | VAPOR DIFFUSION, HANGING DROP, temperature 277K |