1NTE

CRYSTAL STRUCTURE ANALYSIS OF THE SECOND PDZ DOMAIN OF SYNTENIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	25.292, 42.570, 31.038
Unit cell angles	90.00, 108.71, 90.00

Refinement procedure

Resolution	12.160 - 1.240
R-factor	0.11533
Rwork	0.113
R-free	0.15300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n99
RMSD bond length	0.013
RMSD bond angle	1.630 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.000 *
High resolution limit [Å]	1.100	1.100 *
Rmerge	0.042	0.170 *
Total number of observations	58393 *
Number of reflections	18559	275 *
<I/σ(I)>	28.5
Completeness [%]	73.3	11 *
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	PEG 4000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)	pH7.0
3	1	reservoir	PEG4000	34 (%)