5NLJ

Crystal structure of Zn3-E16V human ubiquitin (hUb) mutant adduct, from a solution 70 mM zinc acetate/20% v/v TFE/1.3 mM E16V 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	2011-03-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.265
Spacegroup name	P 21 21 21
Unit cell lengths	44.360, 49.970, 93.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.050 - 1.530
R-factor	0.20064
Rwork	0.199
R-free	0.23992
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ehv
RMSD bond length	0.024
RMSD bond angle	2.384
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.050	1.610
High resolution limit [Å]	1.530	1.530
Number of reflections	30080	3141
<I/σ(I)>	11
Completeness [%]	93.7	68.1
Redundancy	7.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22-30% (w/v) PEG 1450, 50 mM HEPES, 70 mM Zn(CH3COO)2 and 20% v/v TFE.