2FWF

high resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-25
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	30.355, 46.082, 74.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.300
Rwork	0.170
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	modified version of 2TRX (see publication)
RMSD bond length	0.011
RMSD bond angle	0.026
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.350
High resolution limit [Å]	1.300	1.300
Number of reflections	25864
<I/σ(I)>	20.8	3.1
Completeness [%]	98.2	87
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277.15	0.1M ammonium acetate, 0.2M sodium acetate, 0.1M sodium iodide, 40% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K