9YFR

perdeuterated human DJ-1, 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.729
Spacegroup name	P 31 2 1
Unit cell lengths	74.836, 74.836, 75.347
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.420 - 0.920
R-factor	0.1041
Rwork	0.104
R-free	0.11250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.008
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.670	0.940
High resolution limit [Å]	0.920	0.920
Number of reflections	168364	8207
<I/σ(I)>	18.2
Completeness [%]	99.9
Redundancy	11
CC(1/2)	1.000	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	22-24% PEG 3000, 200 mM NaCl, and 100 mM HEPES, pH 7.5