3ZNI

Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-15
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	94.970, 131.800, 122.000
Unit cell angles	90.00, 91.92, 90.00

Refinement procedure

Resolution	30.540 - 2.210
R-factor	0.1767
Rwork	0.175
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3PFV 2ldr 4A49 AND 4AUQ
RMSD bond length	0.004
RMSD bond angle	0.811
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.500	2.270
High resolution limit [Å]	2.210	2.210
Rmerge	0.060	0.690
Number of reflections	149230
<I/σ(I)>	14.2	2.1
Completeness [%]	99.6	99.9
Redundancy	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M BICINE, PH 9.0, 8-11% (W/V) PEG 3350 AND 0.1 M SODIUM FORMATE
1				0.1 M BICINE, PH 9.0, 8-11% (W/V) PEG 3350 AND 0.1 M SODIUM FORMATE