4E2O
Crystal structure of alpha-amylase from Geobacillus thermoleovorans, GTA, complexed with acarbose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 122.960, 122.960, 55.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.926 - 2.103 |
| R-factor | 0.1636 |
| Rwork | 0.162 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7taa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.051 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.160 | |
| High resolution limit [Å] | 2.100 | 9.400 | 2.100 |
| Rmerge | 0.083 | 0.022 | 0.354 |
| Rmeas | 0.026 | 0.424 | |
| Number of reflections | 27917 | 315 | 2019 |
| <I/σ(I)> | 11.91 | 38.52 | 3.14 |
| Completeness [%] | 99.2 | 91.8 | 97 |
| Redundancy | 3.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 15% PEG 6000, 0.1M sodium citrate, 20mM acarbose, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
