4ILF

Crystal structure of DsbC R125A from Salmonella enterica serovar Typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-23
Detector	ADSC QUANTUM 270
Wavelength(s)	1.28248
Spacegroup name	P 21 21 21
Unit cell lengths	78.261, 79.193, 85.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.958 - 1.999
R-factor	0.1802
Rwork	0.177
R-free	0.22770
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	1.045
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.958	2.610	2.030
High resolution limit [Å]	1.999	2.520	2.000
Number of reflections	33580
Completeness [%]	91.2	90.7	86.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	287.15	0.2M Litium sulfate, 0.1M Tris (pH 8.5), 32% PEG 4K, VAPOR DIFFUSION, HANGING DROP, temperature 287.15K