6CI8

Structure of the microcompartment-associated aminoacetone dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 31 2 1
Unit cell lengths	104.240, 104.240, 80.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.137 - 1.700
R-factor	0.1454
Rwork	0.144
R-free	0.16980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rih
RMSD bond length	0.017
RMSD bond angle	1.333
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.137	45.137	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.054	0.031	0.680
Rmeas	0.060	0.035	0.741
Total number of observations	347712
Number of reflections	56008	701	4071
<I/σ(I)>	19.86	48.21	3.04
Completeness [%]	100.0	99.2	100
Redundancy	6.208	5.538	6.206
CC(1/2)	0.999	0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	298	tri-sodium citrate