6ARL

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)	0.8077
Spacegroup name	P 1 21 1
Unit cell lengths	71.250, 105.440, 110.280
Unit cell angles	90.00, 108.78, 90.00

Refinement procedure

Resolution	52.720 - 1.900
R-factor	0.2032
Rwork	0.201
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.862
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.820	56.820	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.184	0.061	1.155
Rmeas	0.202	0.066	1.282
Rpim	0.080	0.027	0.544
Total number of observations	710465	4757	28525
Number of reflections	118199	761	5577
<I/σ(I)>	9.1	33.4	1.6
Completeness [%]	97.6	97.5	93.2
Redundancy	6	6.3	5.1
CC(1/2)	0.987	0.991	0.560

Crystallization Conditions

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