6ARF

Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with 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	71.440, 105.410, 110.420
Unit cell angles	90.00, 108.74, 90.00

Refinement procedure

Resolution	36.255 - 1.702
R-factor	0.1671
Rwork	0.165
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.809
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (dev_2686)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.260	36.260	1.730
High resolution limit [Å]	1.700	9.320	1.700
Rmerge	0.133	0.030	1.819
Rmeas	0.144	0.033	2.006
Rpim	0.056	0.013	0.830
Number of reflections	169059	1060	8191
<I/σ(I)>	9.7
Completeness [%]	99.9	97.9	99
Redundancy	6.5	6.4	5.7
CC(1/2)	0.997	0.999	0.329

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	20% PEG 3350, 0.2M KCl, 0.2M KF