3UI6

0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT

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	2008-09-26
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.82656
Spacegroup name	P 21 21 21
Unit cell lengths	34.240, 47.020, 51.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.840 - 0.890
R-factor	0.1034
Rwork	0.103
R-free	0.11590
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.027
RMSD bond angle	3.017
Data scaling software	XSCALE
Refinement software	REFMAC (5.6.0077)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			0.990
High resolution limit [Å]	0.890	25.000	0.890
Rmerge	0.061	0.018	0.202
Number of reflections	64302	4	16991
<I/σ(I)>	20.91	25.31	8.9
Completeness [%]	99.2	100	97.1

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