6AQP

Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	71.370, 106.980, 111.090
Unit cell angles	90.00, 104.18, 90.00

Refinement procedure

Resolution	47.907 - 1.800
R-factor	0.1769
Rwork	0.175
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.851
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (dev_2747)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.100	48.100	1.830
High resolution limit [Å]	1.800	9.860	1.800
Rmerge	0.127	0.033	0.868
Rmeas	0.138	0.036	0.949
Rpim	0.053	0.014	0.376
Number of reflections	149532	902	6651
<I/σ(I)>	11.6
Completeness [%]	95.9	95	90.4
Redundancy	6.2	6.4	5.6
CC(1/2)	0.996	0.999	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	289	23% PEG 3350, 0.2M AmS04, 0.2M KCl, 0.1M Bis-Tris pH 6.5