5TUT

UbcH5a-Ub isopeptide conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	41.949, 51.410, 53.157
Unit cell angles	90.00, 101.39, 90.00

Refinement procedure

Resolution	32.113 - 2.604
R-factor	0.2047
Rwork	0.200
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2C4P & 1UBQ
RMSD bond length	0.003
RMSD bond angle	0.596
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	0.280
Number of reflections	6719
<I/σ(I)>	10.5	2.2
Completeness [%]	96.8	79.6
Redundancy	3.4	2.1
CC(1/2)		0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			Hampton PEG/Ion F10