3MDB

Crystal structure of the ternary complex of full length centaurin alpha-1, KIF13B FHA domain, and IP4

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]	100
Detector technology	CCD
Collection date	2008-10-19
Detector	MAR300
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	115.797, 115.797, 189.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.437 - 2.952
R-factor	0.227
Rwork	0.225
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	nearly isomorphous coordinates of PDB entry 3FM8
RMSD bond length	0.011
RMSD bond angle	1.158
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.060
High resolution limit [Å]	2.950	6.340	2.950
Rmerge	0.139	0.045	0.957
Number of reflections	27800
<I/σ(I)>	6.4
Completeness [%]	100.0	100	100
Redundancy	14.6	13.6	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	Sample buffer: 20mM HEPES, pH 7.30, 500mM NaCl, 1mM TCEP, 5% Glycerol. Protein complex was mixed with PIP3 in 1:1 molar ratio and acetone (5%). Reservoir solution: 0.8M lithium sulfate, 0.5M ammonium sulfate, 0.1M sodium citrate. Cryo-protectant: 2.0M lithium sulfate., vapor diffusion, sitting drop, temperature 291K