3AVB
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 | 70.899, 70.899, 67.046 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.280 - 1.850 |
R-factor | 0.1651 |
Rwork | 0.163 |
R-free | 0.19430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.028 |
RMSD bond angle | 2.187 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 61.400 |
High resolution limit [Å] | 1.850 |
Number of reflections | 32210 |
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, 2.0M ammonium sulfate, 100mM sodium acetate buffer pH 5.0-5.5, vapor diffusion, sitting drop, temperature 293K |