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 |