5SYA

Atomic resolution structure of D24N mutant human DJ-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88
Spacegroup name	P 31 2 1
Unit cell lengths	74.969, 74.969, 75.336
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.000 - 1.100
R-factor	0.11387
Rwork	0.113
R-free	0.12765
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p5f
RMSD bond length	0.015
RMSD bond angle	1.699
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.042	0.919
Number of reflections	98874
<I/σ(I)>	20.4	1.8
Completeness [%]	99.8	97.1
Redundancy	5.5	5.4
CC(1/2)	1.000	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	23-27% polyethylene glycol (PEG) 4000, 0.2 M Sodium Citrate, and 0.1 M Tris HCl