3OGP
Crystal Structure of 6s-98S FIV Protease with Darunavir 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 | 81.170, 81.170, 33.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.000 - 1.700 |
R-factor | 0.1873 |
Rwork | 0.185 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hah |
RMSD bond length | 0.009 |
RMSD bond angle | 1.285 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.000 | 26.569 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.037 | 0.346 | |
Total number of observations | 2465 | 10421 | |
Number of reflections | 27120 | ||
<I/σ(I)> | 12.8 | 16.6 | 2.2 |
Completeness [%] | 99.5 | 98 | 97.1 |
Redundancy | 2.8 | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | VAPOR DIFFUSION, HANGING DROP, temperature 277K |