5V3A

Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 3
Unit cell lengths	152.470, 152.470, 152.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.979 - 2.000
R-factor	0.1821
Rwork	0.181
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.209
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.100	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.029	0.200
Number of reflections	79600	7831
<I/σ(I)>	18.4	3.8
Completeness [%]	100.0	100
Redundancy	43	42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	296	100mM Tris pH8.5, 2M ammonium Phosphate, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 296K