3UI4

0.8 A resolution crystal structure of human Parvulin 14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8
Spacegroup name	P 21 21 21
Unit cell lengths	34.043, 46.966, 51.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.802 - 0.800
R-factor	0.0954
Rwork	0.095
R-free	0.09780
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.021
RMSD bond angle	2.598
Data scaling software	XSCALE
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			0.900
High resolution limit [Å]	0.800	10.000	0.800
Rmerge	0.042	0.033	0.133
Number of reflections	87634	67	25348
<I/σ(I)>	33.69	47.64	9.3
Completeness [%]	99.3	95.7	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	298	0.1 M Tris, 2.5 M (NH4)2SO4, 3-20 mM Ala-Pro, pH 8.0, vapor diffusion, temperature 298K