5MZW

Crystal structure of the decarboxylase AibA/AibB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	66.714, 93.600, 90.324
Unit cell angles	90.00, 104.32, 90.00

Refinement procedure

Resolution	43.758 - 1.520
R-factor	0.1419
Rwork	0.141
R-free	0.15680
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.800	46.800	1.550
High resolution limit [Å]	1.520	8.330	1.520
Rmerge	0.149	0.063	0.830
Rmeas	0.161
Rpim	0.061
Total number of observations	1140065
Number of reflections	164999
<I/σ(I)>	12.1
Completeness [%]	100.0	99.5	100
Redundancy	6.9	7	7
CC(1/2)	0.997	0.996	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 5.0, 12 % PEG6000