6DEE

Crystal structure of the C-terminus of Homo sapiens SPIN90 (SH3-protein interacting with Nck), residues 306-722

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791829
Spacegroup name	P 41 21 2
Unit cell lengths	98.504, 98.504, 81.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.196 - 3.040
R-factor	0.2642
Rwork	0.259
R-free	0.30810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ded
RMSD bond length	0.002
RMSD bond angle	0.513
Data reduction software	HKL-3000 (2.3.6)
Data scaling software	HKL-3000 (2.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.090
High resolution limit [Å]	3.040	3.040
Rmeas	0.122
Rpim	0.049	0.609
Number of reflections	8213	405
<I/σ(I)>	22.5	2.3
Completeness [%]	99.6	100
Redundancy	7.5	7.7
CC(1/2)		0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	50 mM MES, pH 6, 100 mM magnesium sulfate, 1.5% PEG6000