7SIY

cCBL TKB domain in complex with pZAP70 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 6
Unit cell lengths	123.519, 123.519, 56.598
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.660 - 1.480
R-factor	0.2092
Rwork	0.208
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ob2
RMSD bond length	0.004
RMSD bond angle	0.691
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	DIMPLE
Refinement software	PHENIX (1.19-4092_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.759	1.501
High resolution limit [Å]	1.476	1.476
Rmerge		8.110
Number of reflections	78431	4096
<I/σ(I)>	7.9	0.4
Completeness [%]	94.7
Redundancy	9.9
CC(1/2)	1.000	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Ammonium formate, 20% PEG3350