6M4M
X-ray crystal structure of the E249Q mutan of alpha-amylase I and maltohexaose complex from Eisenia fetida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 96.809, 96.809, 121.233 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.920 - 1.700 |
R-factor | 0.158744131505 |
Rwork | 0.158 |
R-free | 0.18004 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m4k |
RMSD bond length | 0.006 |
RMSD bond angle | 0.897 |
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] | 48.400 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.081 | 0.952 |
Rmeas | 0.090 | 1.064 |
Number of reflections | 72722 | 3840 |
<I/σ(I)> | 18.2 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10 | 9.9 |
CC(1/2) | 0.999 | 0.822 |
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 acetat, 10 mM maltohexaose |