4ZQS

New compact conformation of linear Ub2 structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	32.711, 40.973, 47.580
Unit cell angles	94.78, 92.56, 99.22

Refinement procedure

Resolution	32.232 - 1.804
R-factor	0.1991
Rwork	0.196
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.9)
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.094	0.507
Number of reflections	21562
<I/σ(I)>	34.9	4.9
Completeness [%]	96.6	96.3
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.1M Tris-HCl pH 8.0, 0.1M magnesium acetate, 20% PEG 3350, 20% PEG 400