3OH3

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
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	107.161, 122.508, 61.061
Unit cell angles	90.00, 105.30, 90.00

Refinement procedure

Resolution	27.173 - 2.030
R-factor	0.177
Rwork	0.176
R-free	0.20420
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3ogz
RMSD bond length	0.004
RMSD bond angle	0.893
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]	50.000	50.000	2.090
High resolution limit [Å]	2.030	4.350	2.030
Rmerge	0.037	0.019	0.496
Number of reflections	48590
<I/σ(I)>	17.7
Completeness [%]	99.8	98.1	99.8
Redundancy	4.5	4.4	4.4

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