4P36

Crystal structure of DJ-1 With Zn(II) bound (crystal 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	75.015, 75.015, 75.525
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.840 - 1.182
R-factor	0.1193
Rwork	0.119
R-free	0.13840
RMSD bond length	0.007
RMSD bond angle	1.284
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	1.200
High resolution limit [Å]	1.180	1.180
Rmerge	0.070	0.650
Number of reflections	80469
<I/σ(I)>	16.2	2.2
Completeness [%]	99.9	99.5
Redundancy	8.9	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	200 mM Sodium citrate 30% (v:v) PEG-400 500 uM Zinc sulfate