4K7W

Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.26
Spacegroup name	P 21 21 21
Unit cell lengths	43.880, 50.510, 93.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.400 - 1.760
R-factor	0.20312
Rwork	0.200
R-free	0.26691
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ehv
RMSD bond length	0.023
RMSD bond angle	2.047
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.400	1.850
High resolution limit [Å]	1.760	1.760
Rmerge	0.176	0.268
Number of reflections	20920
<I/σ(I)>	6.3	4.2
Completeness [%]	97.7	95
Redundancy	5.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	25% (w/v) PEG 1450, 50mM HEPES pH 7.0, 100 mM zinc acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K