8ZH4
HIV-1 integrase core domain in complex with compound 5
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-24 |
Detector | MAR CCD 300 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.300, 72.300, 66.430 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.560 - 1.820 |
R-factor | 0.1927 |
Rwork | 0.191 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.605 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.560 | 1.860 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.051 | 0.741 |
Rmeas | 0.055 | 0.796 |
Rpim | 0.020 | 0.288 |
Number of reflections | 18381 | 1077 |
<I/σ(I)> | 21.1 | 3.2 |
Completeness [%] | 99.9 | |
Redundancy | 7.3 | |
CC(1/2) | 0.999 | 0.885 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1M sodium cacodylate, 0.2M ammonium sulfate, 7% (w/v) PEG 8000, 5mM DTT, soaking the crystal with 1mM compound 5 |