3AVC
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.96 |
| Spacegroup name | P 31 |
| Unit cell lengths | 70.945, 70.945, 66.995 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.080 - 1.770 |
| R-factor | 0.1596 |
| Rwork | 0.158 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.307 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0062) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.600 |
| High resolution limit [Å] | 1.770 |
| Number of reflections | 36751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 40mM Tris pH 8.0, 250mM NaCl, 30mM MgCl2, 5mM DTT, 1.6-2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K |
