3LRQ

Crystal structure of the U-box domain of human ubiquitin-protein ligase (E3), NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HR4604D.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9789
Spacegroup name	P 1 21 1
Unit cell lengths	72.544, 34.922, 86.709
Unit cell angles	90.00, 90.78, 90.00

Refinement procedure

Resolution	28.005 - 2.292
R-factor	0.1925
Rwork	0.190
R-free	0.24490
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.292	2.300
Rmerge	0.079	0.444
Number of reflections	38061
<I/σ(I)>	28.6	5.1
Completeness [%]	99.4	98.7
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.8	293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1% w/v (+-)-2-methyl-2,4-pentanediol, 0.1% w/v 1,2,3-heptanetriol, 0.1% w/v dirthylenetriaminepentakis (methylphosphonic acid), 0.1% w/v D-Sorbitol, 0.1% w/v glycerol, 0.06M HEPES sodium, 12.5% PEG3350, microbatch, temperature 293K