4Y1D
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
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 | 2011-07-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.800, 62.600, 82.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 1.930 |
| R-factor | 0.18903 |
| Rwork | 0.187 |
| R-free | 0.23091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wne |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.056 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.051 | |
| Number of reflections | 23862 | |
| <I/σ(I)> | 21.07 | |
| Completeness [%] | 94.3 | 95.2 |
| Redundancy | 6.72 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.8M AMMONIUM SULFATE, 0.15M SODIUM CITRATE, 5MM CADMIUM CHLORIDE, PH 4.6 |
