2EGN

Crystal Structure of Tamalin PDZ Domain in Complex with mGluR5 C-terminal Peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	298
Detector technology	CCD
Collection date	2005-02-05
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	75.610, 75.610, 80.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.810 - 2.400
Rwork	0.259
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ego
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.037	0.521
Number of reflections	4125
<I/σ(I)>	22.2
Completeness [%]	99.6
Redundancy	7.4	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M trisodium citrate dihydrogen, 1.0M ammonium dihydrogen phosphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K