2FWG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90.9
Detector technology	CCD
Collection date	2003-05-16
Detector	MARRESEARCH
Wavelength(s)	0.8600
Spacegroup name	P 21 21 21
Unit cell lengths	30.168, 45.966, 73.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.000 - 1.100
Rwork	0.149
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	modified version of 2TRX (see publication)
RMSD bond length	0.020
RMSD bond angle	0.030
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.000	1.150
High resolution limit [Å]	1.100	1.100
Number of reflections	42360
<I/σ(I)>	6.9	3
Completeness [%]	99.7	99.5
Redundancy	3.9

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