5O76

Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	110
Detector technology	PIXEL
Collection date	2016-10-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97632
Spacegroup name	P 21 21 21
Unit cell lengths	94.790, 101.281, 117.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.340 - 2.473
R-factor	0.22
Rwork	0.218
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a4b
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.281	2.515
High resolution limit [Å]	2.473	2.473
Rmerge	0.112	1.155
Rpim	0.066	0.667
Number of reflections	38315	2007
<I/σ(I)>	13.9	2.1
Completeness [%]	93.3	99
Redundancy	6.5	6.9
CC(1/2)	0.998	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M monosaccharides, 0.1 M Buffer 1 pH 6.5, 50% Precipitant 2, Morpheus screen