5CAW

Structure of Pediculus humanus Parkin bound to phospho-ubiquitin

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	2014-05-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	49.170, 44.120, 204.531
Unit cell angles	90.00, 92.55, 90.00

Refinement procedure

Resolution	34.055 - 2.620
R-factor	0.2293
Rwork	0.228
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bm9 1ubq
RMSD bond length	0.005
RMSD bond angle	0.620
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.060	2.740
High resolution limit [Å]	2.620	2.620
Rmerge	0.085	0.389
Number of reflections	26558
<I/σ(I)>	6.3	2
Completeness [%]	99.6	99.6
Redundancy	3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	2% (v/v) PEG400, 2 M NH4SO4, 0.1 M HEPES pH 7.5