5HRR
HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-12 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.0781 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.599, 72.599, 65.716 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.730 - 1.880 |
R-factor | 0.1958 |
Rwork | 0.195 |
R-free | 0.23530 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.930 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.036 | 0.019 | 0.654 |
Total number of observations | 138011 | ||
Number of reflections | 18964 | ||
<I/σ(I)> | 16 | ||
Completeness [%] | 99.9 | 99 | 100 |
Redundancy | 7.3 | 6.9 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | crystals grown in 0.1M Amm Sulfate, 0.1M cacodylate pH 6.5, 7.5% Peg8K, 5mM MgCl2, 5mM MnCl2, 5mM DTT Ligand dissolved in DMSO at 375mM and added to cryo buffer for overnight soak (5%) |