3N30

Crystal Structure of cubic Zn3-hUb (human ubiquitin) adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.282
Spacegroup name	P 43 3 2
Unit cell lengths	104.890, 104.890, 104.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.169 - 3.000
R-factor	0.2376
Rwork	0.234
R-free	0.31770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
RMSD bond length	0.011
RMSD bond angle	1.324
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	ILMILIONE (v.2.2)
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.169	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.063	0.508
Number of reflections	4319
<I/σ(I)>	40.1	6.1
Completeness [%]	100.0	100
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	25 mg/ml milliQ water protein solution, 25% (w/v) PEG 1450, 50 mM HEPES, 200 mM Zn acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K