1PDV

Crystal structure of human DJ-1, P 31 2 1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	75.658, 75.658, 75.488
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.800
Rwork	0.190
R-free	0.21500
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	22.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.049	0.206
Total number of observations	237493 *
Number of reflections	43612
Completeness [%]	98.0	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	4 *	10% PEG3350, 100 mM Tris, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)	pH8.0
2	1	reservoir	PEG3350	10-12 (%(w/v))
3	1	drop	protein	15 (mg/ml)
4	1	drop	Tris	30 (mM)	pH8.0