3KCX
Factor inhibiting HIF-1 alpha in complex with Clioquinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6C1 |
Synchrotron site | PAL/PLS |
Beamline | 6C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.746, 86.746, 146.525 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.820 - 2.600 |
R-factor | 0.246 |
Rwork | 0.244 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.485 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.640 |
High resolution limit [Å] | 2.600 | 6.960 | 2.600 |
Rmerge | 0.122 | 0.069 | 0.760 |
Number of reflections | 17839 | ||
<I/σ(I)> | 13.6 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 13.8 | 12.8 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.6M ammonium sulfate, 2% polyethyleneglycol 400, 0.1M Tris-HCl, pH 7.5, vapor diffusion, hanging drop, temperature 293K |