4N12

Crystal structure of human E18D DJ-1 in complex with Cu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.3702
Spacegroup name	P 31 2 1
Unit cell lengths	75.110, 75.110, 75.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.860 - 1.478
R-factor	0.1644
Rwork	0.164
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.163
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (MR)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.860	1.560
High resolution limit [Å]	1.478	1.478
Rmerge	0.080	0.185
Number of reflections	41496
Completeness [%]	99.9	100
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2 M Sodium Malonate and 20% w/v PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K