5SY6

Atomic resolution structure of human DJ-1, DTT bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	75.227, 75.227, 75.227
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.000 - 1.150
R-factor	0.11067
Rwork	0.110
R-free	0.12948
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p5f
RMSD bond length	0.013
RMSD bond angle	1.675
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.088	1.667
Number of reflections	87636
<I/σ(I)>	16.3	1.7
Completeness [%]	100.0	99.7
Redundancy	11.1	8.4
CC(1/2)	1.000	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	23-27% PEG 3000, 100 mM HEPES, 200 mM NaCl, 10 mM dithiothreitol (DTT)