8ZHA
HIV-1 integrase core domain in complex with compound 15
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-25 |
| Detector | MAR CCD 300 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.740, 72.740, 66.450 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.720 - 1.950 |
| R-factor | 0.1912 |
| Rwork | 0.190 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.633 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.450 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.092 | 0.681 |
| Rmeas | 0.099 | 0.733 |
| Rpim | 0.037 | 0.268 |
| Number of reflections | 15195 | 1054 |
| <I/σ(I)> | 13.2 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | |
| CC(1/2) | 0.997 | 0.744 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M sodium cacodylate, 0.2M ammonium sulfate, 7% (w/v) PEG 8000, 5mM DTT, soaking the crystal with 1mM compound 15 |
