9YZV

Joint Xray/Neutron structure of human DJ-1 at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2019-10-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.542
Spacegroup name	P 65 2 2
Unit cell lengths	67.410, 67.410, 179.791
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.090 - 2.150
Rwork	0.232
R-free	0.28130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.462
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.960	2.230	1.660
High resolution limit [Å]	1.630	2.150	1.630
Number of reflections	31092	1255	1494
<I/σ(I)>	21.4
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.991	0.490	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	20% PEG3350, 100 mM HEPES pH=7.5 and 200 mM KCl
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	20% PEG3350, 100 mM HEPES pH=7.5 and 200 mM KCl