6TOZ
Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with acarbose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2017-01-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 83.060, 83.060, 188.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.010 - 1.940 |
R-factor | 0.1568 |
Rwork | 0.156 |
R-free | 0.18100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6toy |
RMSD bond length | 0.010 |
RMSD bond angle | 1.405 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.27) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.010 | 1.970 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.133 | 0.572 |
Rmeas | 0.140 | 0.607 |
Rpim | 0.044 | 0.199 |
Number of reflections | 49402 | 2263 |
<I/σ(I)> | 13.5 | |
Completeness [%] | 97.6 | 68 |
Redundancy | 9.8 | 8.3 |
CC(1/2) | 0.997 | 0.781 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 42-46% Tacsimate, 10 mM CaCl2 |