5HRP
HIV Integrase Catalytic Domain containing F185K + A124T 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 | 2012-04-24 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.0781 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.817, 72.817, 65.867 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.170 - 1.810 |
| R-factor | 0.1969 |
| Rwork | 0.196 |
| R-free | 0.22390 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.061 | 0.045 | 0.591 |
| Total number of observations | 151487 | ||
| Number of reflections | 20804 | ||
| <I/σ(I)> | 15.6 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 7.3 | 6.9 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | Apo crystals grown in 0.1M Ammonium Sulfate, 0.1M Cacidylate pH 6.5, 7.5% Peg8K, 5mM each of MgCl2 MnCl2, DTT 375mM compound in DMSO was added to crystal cryo buffer (20:1) and soaked overnight cryo contained the above with the addition of 30% ethylene glycol |
