4K7D

Crystal Structure of Parkin C-terminal RING domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.2824
Spacegroup name	P 21 21 21
Unit cell lengths	84.700, 106.625, 154.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.310 - 2.800
R-factor	0.1869
Rwork	0.184
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.914
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.330	53.313	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.079	0.036	0.464
Total number of observations		10817	48748
Number of reflections	35121
<I/σ(I)>	19.9	16.1	1.6
Completeness [%]	99.9	98.3	100
Redundancy	9.7	8.9	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.9 M sodium malonate pH 7.0, 0.1 M HEPES pH 7.0, 5% (v/v) glycerol, 56 mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K