5IP5

Human DJ-1 complexed with Na-K-tartrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-10
Detector	ADSC QUANTUM 270
Wavelength(s)	1.127
Spacegroup name	P 31 2 1
Unit cell lengths	74.802, 74.802, 75.819
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.660
R-factor	0.14305
Rwork	0.142
R-free	0.16391
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bwe
RMSD bond length	0.027
RMSD bond angle	2.509
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.720
High resolution limit [Å]	1.660	1.660
Number of reflections	29365
<I/σ(I)>	54.3
Completeness [%]	99.8	100
Redundancy	2.1	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	295	1.5 M sodium potassium tartrate, 3.5 M ammonium sulfate, 0.1 M Na-Cacodylate