3KFV

Crystal structure of the SH3-kinase fragment of tight junction protein 3 (TJP3) in apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	P 4 2 2
Unit cell lengths	88.654, 88.654, 92.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.327 - 2.800
R-factor	0.225
Rwork	0.222
R-free	0.29000
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.794
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.020
High resolution limit [Å]	2.800	4.790	2.800
Rmerge	0.155	0.071	0.834
Number of reflections	9570
<I/σ(I)>	5.7
Completeness [%]	99.1	100	95.3
Redundancy	12.9	13.4	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	5% MPD, 1.4M ammonium sulfate, 0.1M HEPES, 0.01M ADP, pH 7.5, vapor diffusion, hanging drop, temperature 291K