2G45

Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-09
Detector	MARRESEARCH
Wavelength(s)	1.0, 1.28317, 1.27163, 1.28855, 1.28237
Spacegroup name	P 64
Unit cell lengths	68.074, 68.074, 225.345
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.000 - 1.990
R-factor	0.229
Rwork	0.229
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g43
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.087	0.367
Number of reflections	40453
<I/σ(I)>	13.9	7
Completeness [%]	99.9	100
Redundancy	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	300	16% polyethylene glycol 8000, 80 mM sodium cacodylate pH 6.5, 160 mM magenesium or calcium acetate, 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 300K, pH 6.50
1		6.5	300	16% polyethylene glycol 8000, 80 mM sodium cacodylate pH 6.5, 160 mM magenesium or calcium acetate, 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 300K, pH 6.50