6QP0

Crystal structure of Chaetomium thermophilum Kti12 in complex with ADP-AlF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-09-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.982
Spacegroup name	P 31 2 1
Unit cell lengths	71.020, 71.020, 88.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.510 - 2.409
R-factor	0.2404
Rwork	0.239
R-free	0.27470
RMSD bond length	0.002
RMSD bond angle	0.619
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.480
High resolution limit [Å]	2.400	2.400
Number of reflections	10334	723
<I/σ(I)>	12.3	1.98
Completeness [%]	99.5	95
Redundancy	7.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	3 mM ADP, 6 mM AlCl3 and 60 mM NaF; Protein concentration = 45 mg/ml; 3 days; Mother liquor contained 100 mM MMT buffer (DL-malic acid, MES monohydrate, TRIS at pH 5.5) and 25% w/v PEG1500.