3WNF
Cyclic hexapeptide CKIDNC in complex with HIV-1 integrase
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 | 2009-09-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 32 |
Unit cell lengths | 50.070, 50.070, 102.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.360 - 1.450 |
R-factor | 0.20056 |
Rwork | 0.199 |
R-free | 0.23226 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l3u |
RMSD bond length | 0.029 |
RMSD bond angle | 2.437 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.038 | 0.426 |
Number of reflections | 48158 | |
<I/σ(I)> | 22.7 | 3.7 |
Completeness [%] | 94.4 | 86.1 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 1.8M AMMONIUM SULFATE, 0.15M SODIUM CITRATE, 5MM CADMIUM CHLORIDE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |