3P0F

Structure of hUPP2 in an inactive conformation with bound 5-benzylacyclouridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	59.696, 59.696, 189.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.540
R-factor	0.1917
Rwork	0.191
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PBD ENTRY 3EUF
RMSD bond length	0.013
RMSD bond angle	1.392
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.600
High resolution limit [Å]	1.540	3.320	1.540
Rmerge	0.055	0.037	0.480
Number of reflections	51429
<I/σ(I)>	13.2
Completeness [%]	99.1	98.9	93.1
Redundancy	6.6	7.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	20% polyvinylpyrrolidone K15, 0.1M cobalt chloride, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K