2FWH

atomic resolution crystal structure of the C-terminal domain of the electron transfer catalyst DsbD (reduced form at pH7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	101
Detector technology	CCD
Collection date	2004-06-05
Detector	MARRESEARCH
Wavelength(s)	0.8555
Spacegroup name	P 21 21 21
Unit cell lengths	30.289, 46.072, 74.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 0.990
Rwork	0.113
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	modified version of 2TRX (see publication)
RMSD bond length	0.014
RMSD bond angle	0.030
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	1.030
High resolution limit [Å]	0.990	0.990
Number of reflections	58388
<I/σ(I)>	18.8	2.6
Completeness [%]	99.6	96.9
Redundancy	5.8

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