5N00

Crystal structure of the decarboxylase AibA/AibB C56A variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-14
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	66.947, 93.482, 90.846
Unit cell angles	90.00, 104.49, 90.00

Refinement procedure

Resolution	46.880 - 1.900
R-factor	0.1516
Rwork	0.150
R-free	0.18540
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5mzw
RMSD bond length	0.005
RMSD bond angle	0.770
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]	46.880	46.880	1.930
High resolution limit [Å]	1.900	10.050	1.900
Rmerge	0.111	0.049	0.633
Rmeas	0.120
Rpim	0.047
Total number of observations	545067
Number of reflections	85333
<I/σ(I)>	11
Completeness [%]	100.0	98.8	99.9
Redundancy	6.4	5.9	5.1
CC(1/2)	0.997	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.085 M sodium acetate, 0.17 M ammonium acetate, 15 % glycerol, 25 % PEG4000