4I5Q

Crystal structure and catalytic mechanism for peroplasmic disulfide-bond isomerase DsbC from Salmonella enterica serovar Typhimurium

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	2011-10-09
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.989, 78.526, 84.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.642 - 1.962
R-factor	0.2063
Rwork	0.204
R-free	0.25440
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.040
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.270	2.040
High resolution limit [Å]	1.962	2.220	2.000
Number of reflections	36553
Completeness [%]	96.9	97.5	92.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287.15	3.9M Sodium chloride, 0.1M Hepes(pH 7.0) , VAPOR DIFFUSION, HANGING DROP, temperature 287.15K