6M4L
X-ray crystal structure of the E249Q mutant of alpha-amylase I from Eisenia fetida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.897, 96.897, 121.957 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.958 - 1.600 |
R-factor | 0.168807930266 |
Rwork | 0.168 |
R-free | 0.19033 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m4k |
RMSD bond length | 0.006 |
RMSD bond angle | 0.837 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.330 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.050 | 0.528 |
Rmeas | 0.058 | 0.609 |
Number of reflections | 87577 | 4250 |
<I/σ(I)> | 20.1 | 3.5 |
Completeness [%] | 100.0 | 99.6 |
Redundancy | 7.9 | 7.8 |
CC(1/2) | 0.999 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1.3 M lithium sulfate, 3% (v/v) PEG 400, 0.1 M magnesium sulfate, 0.1 M sodium acetate |