2I1N

Crystal structure of the 1st PDZ domain of Human DLG3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	81.817, 80.545, 67.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.160 - 1.850
R-factor	0.18746
Rwork	0.186
R-free	0.21775
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID = 2FE5
RMSD bond length	0.013
RMSD bond angle	1.416
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	19545
Completeness [%]	99.6	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0M LiSO4; 0.5M TMAO, VAPOR DIFFUSION, SITTING DROP, temperature 293K