3LDM
Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 92.894, 92.894, 159.353 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.625 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 23698 | |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 100mM sodium acetate pH4.6, 2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
