5NKZ

Crystal structure of H. polymorpha ubiquitin conjugating enzyme Pex4p in complex with soluble domain of Pex22p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	44.683, 61.582, 78.441
Unit cell angles	89.18, 78.02, 84.09

Refinement procedure

Resolution	48.040 - 2.850
R-factor	0.2385
Rwork	0.236
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Pex4:Pex22 complex coordinates from S. cerevisae (PDB: 2Y9M(Williams et al. 2012); 33/57 % and 14/35 % identity/similarity respectively) as starting model
RMSD bond length	0.016
RMSD bond angle	1.925
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.040	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.123	0.800
Number of reflections	20450	1822
<I/σ(I)>	6.03	1.14
Completeness [%]	95.0	94.5
Redundancy	3.93	5.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M BIS-TRIS Propane pH 7.8, 0.2 M sodium sulphate, 22 % w/v PEG-3350