1JXO

Crystal Structure of the SH3-HOOK-GK Fragment of PSD-95

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.964818
Spacegroup name	P 1
Unit cell lengths	45.009, 53.410, 63.262
Unit cell angles	89.96, 90.00, 91.78

Refinement procedure

Resolution	29.880 - 2.300
R-factor	0.22
Rwork	0.220
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jxm
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.880	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.043 *	0.102 *
Number of reflections	25724 *
Completeness [%]	98.4 *	97.6
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	4 *	2-methyl-2,4-pentanediol, MES buffer, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	GMP	5 (mM)
3	1	reservoir	MES	100 (mM)	pH6.3
4	1	reservoir	MPD	60 (%)