3BH4
High resolution crystal structure of Bacillus amyloliquefaciens alpha-amylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-23 |
| Detector | MARMOSAIC 325 mm CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.760, 148.676, 76.197 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e43 |
| RMSD bond length | 0.005 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.370 | |
| Number of reflections | 196849 | |
| <I/σ(I)> | 2677.6 | 167.4 |
| Completeness [%] | 98.3 | 100 |
| Redundancy | 7.1 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 100mM Tris-HCl, pH7.5, 24% PEG3350, 3.5mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
