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