6AF9

DJ-1 with isatin bound (high concentration)

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	2013-02-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	75.100, 75.100, 75.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.900 - 1.390
R-factor	0.11408
Rwork	0.113
R-free	0.13476
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1soa
RMSD bond length	0.017
RMSD bond angle	2.050
Data reduction software	MOSFLM (7.0.9)
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	1.470
High resolution limit [Å]	1.390	1.390
Rmerge	0.081	0.685
Number of reflections	48912
<I/σ(I)>	16.6	2.4
Completeness [%]	98.3	89.3
Redundancy	9.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	100mM TRIS-HCl, 200mM sodium citrate, 30% PEG 400, 5mM DTT