1JPE

Crystal structure of DsbD-alpha; the N-terminal domain of DsbD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	53.082, 54.603, 102.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.900
R-factor	0.221
Rwork	0.216
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	26.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.970
High resolution limit [Å]	1.900 *	1.890
Rmerge	0.039 *	0.190 *
Total number of observations	70473 *
Number of reflections	12214 *
Completeness [%]	95.5 *	84.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG4000	23 (%)
3	1	reservoir	sodium acetate	0.1 (M)	pH4.6
4	1	reservoir	ammonium sulfate	0.1 (M)