3LDJ
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 | C 1 2 1 |
| Unit cell lengths | 116.397, 31.054, 52.422 |
| Unit cell angles | 90.00, 116.38, 90.00 |
Refinement procedure
| Resolution | 52.130 - 1.700 |
| R-factor | 0.19227 |
| Rwork | 0.190 |
| R-free | 0.23428 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.237 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.130 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 27420 | |
| <I/σ(I)> | 22.5 | 3.7 |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 20-25% PEG4000, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
