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 |