4BM9

Structure of the autoinhibited Parkin catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-10
Detector	DECTRIS PIXEL
Spacegroup name	H 3 2
Unit cell lengths	168.420, 168.420, 97.181
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.619 - 2.250
R-factor	0.1918
Rwork	0.190
R-free	0.21780
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	0.974
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.330	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.090	0.640
Number of reflections	24502
<I/σ(I)>	10.3	2.3
Completeness [%]	98.0	99.1
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		1.6 M LITHIUM SULPHATE, 10 MM MAGNESIUM CHLORIDE, 50 MM MES (PH 5.4)