5WQS
Crystal structure of Apo Beta-Amylase from Sweet potato
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 128.347, 128.347, 66.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.760 - 1.900 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.20210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fa2 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.927 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.760 | 30.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.093 | 0.054 | 0.683 |
Number of reflections | 44300 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.6 | 99.3 | 97.8 |
Redundancy | 7.8 | 7.5 | 6.6 |
CC(1/2) | 0.997 | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | 0.1M Sodium acetate (pH 5.5), 0.05M Tris (pH 7.5), 0.01M NaCl, 2% Isoproponal, 18% PEG 4000 |