1TIJ
3D Domain-swapped human cystatin C with amyloid-like intermolecular beta-sheets
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-12-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8885 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 91.490, 91.490, 144.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.030 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ONE HALF OF HUMAN CYSTATIN C CRYSTALLOGRAPHIC DIMER WITH SWAPPED DOMAINS (PDB ENTRY 1G96) |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.080 |
| High resolution limit [Å] | 3.030 | 3.030 |
| Rmerge | 0.123 | 0.409 |
| Number of reflections | 12273 | |
| <I/σ(I)> | 14 | 3.2 |
| Completeness [%] | 97.8 | 97.7 |
| Redundancy | 7.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 277 | 100mM sodium acetate, 20mM CaCl2, 40-45% MPD, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
