6M8R

Crystal structure of the KCTD16 BTB domain in complex with GABAB2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-06-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	91.964, 64.945, 114.137
Unit cell angles	90.00, 99.79, 90.00

Refinement procedure

Resolution	38.639 - 3.200
R-factor	0.2208
Rwork	0.217
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a15
RMSD bond length	0.003
RMSD bond angle	0.637
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3211: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.332	0.997
Rmeas	0.394	1.226
Rpim	0.208	0.703
Number of reflections	22162	1073
<I/σ(I)>	3.4	0.6
Completeness [%]	99.2	96.7
Redundancy	3.3	2.7
CC(1/2)	0.926	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM magnesium chloride, 100 mM Tris-HCl, pH 7.5, 12% w/v PEG8000