3BSH
Barley alpha-amylase isozyme 1 (AMY1) double mutant Y105A/Y380A in complex with inhibitor acarbose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9340 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 99.500, 72.100, 60.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.190 - 3.000 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.26800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ht6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 9224 | |
| <I/σ(I)> | 11.23 | 10.29 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 0.1M HEPES buffer pH 7.5, 20%(w/v) PEG 8000, 3% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
