4D8K

Crystal structure of a SH3-SH2 domains of a lymphocyte-specific protein tyrosine kinase (LCK) from Homo sapiens at 2.36 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-16
Detector	ADSC QUANTUM 315
Spacegroup name	P 31 2 1
Unit cell lengths	68.899, 68.899, 80.283
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.834 - 2.360
R-factor	0.194
Rwork	0.191
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.176
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.834	29.834	2.420
High resolution limit [Å]	2.360	10.550	2.360
Rmerge		0.024	0.865
Total number of observations		527	3254
Number of reflections	9434
<I/σ(I)>	9.3	23.9	0.9
Completeness [%]	99.9	95.5	100
Redundancy	4.9	4.1	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1.5M lithium sulfate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K