3HM3

The Structure and conformation of Lys-63 linked tetra-ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90020
Spacegroup name	P 21 3
Unit cell lengths	105.882, 105.882, 105.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.680 - 1.960
R-factor	0.1882
Rwork	0.186
R-free	0.23611
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
RMSD bond length	0.023
RMSD bond angle	1.885
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.680	50.000	2.010
High resolution limit [Å]	1.960	4.830	1.960
Rmerge	0.081	0.046	0.902
Number of reflections	28616
<I/σ(I)>	54.367
Completeness [%]	99.6	94.3	100
Redundancy	42.9	38.6	43.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.1M Sodium acetate, 5% PEG 3000, 50 mM Zinc acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K