2A3Y
Pentameric crystal structure of human serum amyloid P-component bound to Bis-1,2-{[(Z)-2carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.115872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.715, 69.956, 101.367 |
| Unit cell angles | 90.00, 97.09, 90.00 |
Refinement procedure
| Resolution | 50.600 - 2.000 |
| R-factor | 0.21738 |
| Rwork | 0.216 |
| R-free | 0.24965 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lgn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.086 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.700 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.047 | 0.172 |
| Number of reflections | 84221 | |
| <I/σ(I)> | 17.9 | 6.3 |
| Completeness [%] | 94.5 | 91.8 |
| Redundancy | 2.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | sodium actetate, calcium acetate, PEG 8000, PEG 400, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
