6VLM
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.900, 66.770, 57.430 |
| Unit cell angles | 90.00, 102.33, 90.00 |
Refinement procedure
| Resolution | 20.860 - 2.320 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.799 | 2.355 |
| High resolution limit [Å] | 2.315 | 2.315 |
| Number of reflections | 15438 | 770 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 8000, Tris, pH 7.3-7.5 |
