5HL0

Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution

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	2014-10-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 6
Unit cell lengths	123.180, 123.180, 56.786
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.320 - 2.200
R-factor	0.1923
Rwork	0.190
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bum
RMSD bond length	0.012
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.750	41.750	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.128	0.047	1.236
Rpim	0.042	0.016	0.403
Total number of observations	257967	3850	22611
Number of reflections	25191
<I/σ(I)>	12.1	43.4	2
Completeness [%]	100.0	99	100
Redundancy	10.2	9.8	10.4
CC(1/2)	0.998	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% (w/v) PEG 8000, 0.04M Potassium phosphate (monobasic), 20% (v/v) glycerol