4N0M

Crystal structure of human C53A DJ-1 in complex with Cu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.378
Spacegroup name	P 31 2 1
Unit cell lengths	75.140, 75.140, 75.271
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.580 - 1.950
R-factor	0.15
Rwork	0.149
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.222
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX ((autoMR))
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.630	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.114	0.351
Number of reflections	18268
Completeness [%]	99.6	100
Redundancy		8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M Sodium Malonate, 20% w/v PEG 3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K