3BLP
Role of aromatic residues in human salivary alpha-amylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2007-11-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9777 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.085, 74.873, 134.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.960 - 1.600 |
| R-factor | 0.18202 |
| Rwork | 0.181 |
| R-free | 0.20532 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1smd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.352 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.093 | 0.439 |
| Number of reflections | 64253 | |
| <I/σ(I)> | 20.6 | 2 |
| Completeness [%] | 96.2 | 92.7 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 45% MPD, 0.1M Tris.HCl, 10 mM calcium chloride, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
