5HKY

Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 6
Unit cell lengths	122.810, 122.810, 58.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.199 - 1.800
R-factor	0.158
Rwork	0.157
R-free	0.18010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bum
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.330	42.330	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.111	0.041	1.226
Total number of observations	474170	4016	27982
Number of reflections	46770
<I/σ(I)>	14.8	46.2	2.2
Completeness [%]	100.0	98.8	100
Redundancy	10.1	9.9	10
CC(1/2)	0.999	0.999	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	30% (v/v) PEG 400, 0.1M HEPES, 200 mM MgCl2