4Y1C
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 MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.480, 61.500, 81.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.350 - 2.300 |
| R-factor | 0.24605 |
| Rwork | 0.243 |
| R-free | 0.29495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wne |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.878 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.053 | 0.053 |
| Number of reflections | 13118 | |
| <I/σ(I)> | 24.1 | 8.32 |
| Completeness [%] | 93.5 | 81.5 |
| Redundancy | 6.93 | 7.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 1.8M AMMONIUM SULFATE, 0.15M SODIUM REMARK 280 CITRATE, 5MM CADMIUM CHLORIDE, PH 4.6 |
