4K95

Crystal Structure of Parkin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9183
Spacegroup name	P 21 21 2
Unit cell lengths	208.598, 277.439, 125.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.334 - 6.499
R-factor	0.3078
Rwork	0.307
R-free	0.32660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries: 4K7D (rat parkin 141-465) and 2ZEQ (mouse parkin 1-72)
RMSD bond length	0.011
RMSD bond angle	1.174
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	6.730
High resolution limit [Å]	6.500	13.910	6.500
Rmerge	0.172	0.080	0.805
Number of reflections	14922
<I/σ(I)>	15.1	40.1	2.5
Completeness [%]	99.8	98.9	100
Redundancy	7.2	6.1	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	22.5% PEG3350, 0.2 M (NH4)2SO4, 0.1 M HEPES pH 7.0, 10% (v/v) glycerol, 3% sorbitol and 25 mM 2-mercaptoethanol, vapor diffusion, hanging drop, temperature 277K