3OH1

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

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	108.226, 122.320, 61.221
Unit cell angles	90.00, 105.42, 90.00

Refinement procedure

Resolution	29.509 - 2.180
R-factor	0.2017
Rwork	0.200
R-free	0.24330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3ogz
RMSD bond length	0.013
RMSD bond angle	1.376
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	2.260
High resolution limit [Å]	2.180	4.700	2.180
Rmerge	0.042	0.024	0.301
Number of reflections	39879
<I/σ(I)>	19.8
Completeness [%]	99.5	96.3	100
Redundancy	6.3	6.1	5.7

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