3IA0

Ethanolamine Utilization Microcompartment Shell Subunit, EutS-G39V mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97920
Spacegroup name	P 1
Unit cell lengths	73.581, 151.394, 127.456
Unit cell angles	90.00, 90.39, 90.00

Refinement procedure

Resolution	58.881 - 2.500
R-factor	0.217
Rwork	0.217
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i96
RMSD bond length	0.005
RMSD bond angle	0.926
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.2)
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.000	60.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.166	0.109	0.645
Number of reflections	173054
<I/σ(I)>	4.2
Completeness [%]	90.8	86.3	92.7
Redundancy	2.7	2.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	0.1M sodium/potassium phosphate, 12% PEG3000, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K