2QP6
The crystal structure of the complex of hcaII with a bioreductive antitumor derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-10 |
Detector | MARRESEARCH |
Wavelength(s) | 1.200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.069, 41.238, 71.829 |
Unit cell angles | 90.00, 104.20, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.450 |
Rwork | 0.192 |
R-free | 0.20700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ca2 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 41454 | |
<I/σ(I)> | 18.6 | 4.1 |
Completeness [%] | 97.3 | 77.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 277 | AMMONIUM SULPHATE, SODIUM CHLORIDE, TRIS-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277 K |