3BLK
Role of aromatic residues in starch binding
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 | 52.282, 75.046, 135.013 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.160 - 2.000 |
| R-factor | 0.17763 |
| Rwork | 0.176 |
| R-free | 0.21475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1smd |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.641 |
| 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] | 36.160 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.101 | 0.418 |
| Number of reflections | 34563 | |
| <I/σ(I)> | 34.2 | 7.6 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 5.4 | 5.5 |
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 |
