5NL5

Crystal structure of Zn1.7-E16V human ubiquitin (hUb) mutant adduct, from a solution 70 mM zinc acetate/1.3 mM E16V hUb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-20
Detector	ADSC QUANTUM 210
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	44.320, 50.460, 93.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.290 - 1.960
R-factor	0.17396
Rwork	0.171
R-free	0.23699
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ehv
RMSD bond length	0.019
RMSD bond angle	2.010
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.290	2.070
High resolution limit [Å]	1.960	1.960
Number of reflections	15318	2101
<I/σ(I)>	6.4	5.1
Completeness [%]	98.3	95.2
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22-30% (w/v) PEG 1450, 50 mM HEPES pH 6.5-7.0, 70 mM Zn(CH3COO)2