2XFY
Crystal structure of Barley Beta-Amylase complexed with alpha- cyclodextrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.846, 71.466, 92.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.760 - 1.207 |
| R-factor | 0.124 |
| Rwork | 0.122 |
| R-free | 0.15330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b1y |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.671 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0091) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.090 | 1.260 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 139370 | |
| <I/σ(I)> | 6.31 | 1.46 |
| Completeness [%] | 98.4 | 90.8 |
| Redundancy | 5.19 | 4.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | CRYSTALS WERE GROWN AT 291 K USING THE HANGING DROP VAPOUR DIFFUSION METHOD WITH PROTEIN AT 10 MG PER ML AND A PRECIPITANT COMPRISED OF 14 PERCENT PEG 3350 IN 100 MM BIS-TRIS PROPANE BUFFER AT PH 5.5 |
