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 |