4TZI

Structure of unliganded Lyn SH2 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-21
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	111.915, 27.995, 74.915
Unit cell angles	90.00, 96.81, 90.00

Refinement procedure

Resolution	32.756 - 2.100
R-factor	0.2033
Rwork	0.199
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hck
RMSD bond length	0.009
RMSD bond angle	1.093
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge		0.092
Number of reflections	13934
<I/σ(I)>	25.7	10.2
Completeness [%]	100.0	100
Redundancy	4.8	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 ul seed stock with 0.2 ul well solution (0.1 M Tris pH 8.5, 20% v/v ethanol) and 0.3 ul of protein (20 mM Hepes pH 7.0, 150 mM NaCl, 1 mM DTT, 22.5 mg/mL)