3OH2

Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE-GALACTOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	107.433, 121.910, 61.407
Unit cell angles	90.00, 105.98, 90.00

Refinement procedure

Resolution	29.517 - 2.140
R-factor	0.1697
Rwork	0.168
R-free	0.20340
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3ogz
RMSD bond length	0.010
RMSD bond angle	1.271
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.220
High resolution limit [Å]	2.140	4.610	2.140
Rmerge	0.051	0.038	0.359
Number of reflections	41738
<I/σ(I)>	22
Completeness [%]	99.1	93.3	100
Redundancy	4.2	4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1-0.2 M sodium tartrate, 16-20% PEG5000, 10 mM DTT, pH 7-8, vapor diffusion, sitting drop, temperature 292K