6ARG

Aspergillus fumigatus Cytosolic Thiolase: Apo enzyme in complex with rubidium 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	71.260, 105.370, 110.260
Unit cell angles	90.00, 108.69, 90.00

Refinement procedure

Resolution	36.200 - 1.782
R-factor	0.1838
Rwork	0.182
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
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]	36.200	36.160	1.810
High resolution limit [Å]	1.780	9.760	1.780
Rmerge	0.168	0.048	1.675
Rmeas	0.183	0.052	1.852
Rpim	0.071	0.020	0.775
Number of reflections	144987	924	6982
<I/σ(I)>	9.2
Completeness [%]	98.8	97.3	96.6
Redundancy	6.4	6.4	5.5
CC(1/2)	0.991	0.997	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	24% PEG 3350, 0.15M RbCl