4FYB

Structural and functional characterizations of a thioredoxin-fold protein from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1.2398
Spacegroup name	C 1 2 1
Unit cell lengths	133.575, 43.913, 80.059
Unit cell angles	90.00, 108.74, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.19727
Rwork	0.195
R-free	0.23026
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.146
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	22514
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	295	200mM potassium acetate (pH 7.8), 20% (w/v) polyethylene glycol (PEG) 1500, 2.2mM FOS-Choline-8 (fluorinated), VAPOR DIFFUSION, SITTING DROP, temperature 295K