3GGU
HIV PR drug resistant patient's variant in complex with darunavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-10 |
Detector | SBC-3 |
Wavelength(s) | 0.98 |
Spacegroup name | P 61 |
Unit cell lengths | 62.593, 62.593, 81.923 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.610 - 1.800 |
R-factor | 0.20645 |
Rwork | 0.204 |
R-free | 0.24606 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1u8g |
RMSD bond length | 0.013 |
RMSD bond angle | 1.548 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.031 | 0.200 |
Number of reflections | 16954 | |
<I/σ(I)> | 42.6 | 7.18 |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 5.1 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | Cpr=5mg/ml, inhibitor:protein = 5:1, reservoir: 0.8M Ammonium Sulfate, 0.1M Sodim Acetate, drops: 2+1ul , pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |