6TP0
Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with maltose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2017-01-16 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 82.960, 82.960, 187.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.890 - 2.040 |
R-factor | 0.1573 |
Rwork | 0.156 |
R-free | 0.18490 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6toy |
RMSD bond length | 0.010 |
RMSD bond angle | 1.394 |
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] | 49.890 | 2.080 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.157 | 0.671 |
Rmeas | 0.168 | 0.720 |
Rpim | 0.058 | 0.257 |
Number of reflections | 42384 | 2385 |
<I/σ(I)> | 11.1 | |
Completeness [%] | 98.2 | 76.3 |
Redundancy | 8.1 | 7.5 |
CC(1/2) | 0.995 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 42-46 % Tacsimate, 10 mM CaCl2 |