6EZZ
Crystal structure of Escherichia coli amine oxidase mutant E573Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 135.521, 167.202, 79.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.120 - 1.800 |
R-factor | 0.16674 |
Rwork | 0.166 |
R-free | 0.19680 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1dyu |
RMSD bond length | 0.012 |
RMSD bond angle | 1.556 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.31) |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.120 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.054 | 0.666 |
Rmeas | 0.061 | |
Rpim | 0.027 | |
Number of reflections | 167221 | 7889 |
<I/σ(I)> | 14.7 | 2.2 |
Completeness [%] | 99.3 | 95.2 |
Redundancy | 4.9 | 4.9 |
CC(1/2) | 0.999 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.6 M Sodium citrate, 100mM HEPES pH 6-7 |