5NLF

Crystal structure of Zn2.7-E16V human ubiquitin (hUb) mutant adduct, from a solution 100 mM zinc acetate/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	44.410, 50.530, 93.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.840 - 1.500
R-factor	0.15736
Rwork	0.156
R-free	0.18033
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ehv
RMSD bond length	0.025
RMSD bond angle	2.433
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.840	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	32385	4199
<I/σ(I)>	18.2	6.2
Completeness [%]	94.2	85.2
Redundancy	10	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22-30% (w/v) PEG 1450, 50 mM HEPES, 100 mM Zn(CH3COO)2