7Q5U

The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	92.321, 129.312, 95.346
Unit cell angles	90.00, 100.23, 90.00

Refinement procedure

Resolution	93.830 - 2.400
Rwork	0.216
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a81
RMSD bond length	0.009
RMSD bond angle	1.522
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.830	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.219	2.507
Rmeas	0.250	2.849
Rpim	0.116	1.317
Number of reflections	86011	4550
<I/σ(I)>	7.4	0.9
Completeness [%]	99.9	99.5
Redundancy	8.9	9.3
CC(1/2)	0.992	0.395

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	100 mM MMT buffer, 30% PEG 1000