5HKZ

Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 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 1 21 1
Unit cell lengths	50.164, 56.572, 58.228
Unit cell angles	90.00, 107.15, 90.00

Refinement procedure

Resolution	39.668 - 1.800
R-factor	0.1642
Rwork	0.162
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bum
RMSD bond length	0.010
RMSD bond angle	0.996
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]	43.150	43.150	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.054	0.018	0.665
Total number of observations	95633	816	5436
Number of reflections	28815
<I/σ(I)>	16.3	58.1	1.9
Completeness [%]	99.4	97.1	99.4
Redundancy	3.3	3.3	3.2
CC(1/2)	0.999	0.999	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% (w/v) PEG 2000 MME, 0.1M HEPES