3BCD
Alpha-amylase B in complex with maltotetraose and alpha-cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0412 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 228.700, 78.050, 50.640 |
| Unit cell angles | 90.00, 98.90, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.19685 |
| Rwork | 0.196 |
| R-free | 0.24008 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3bc9 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.939 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 47080 | |
| <I/σ(I)> | 18 | 3.6 |
| Completeness [%] | 97.9 | 96 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.2M sodium acetate, 0.1M Mes-OH, 20% (w/v) PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
