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 |