4PWO

Crystal structure of DsbA from the Gram positive bacterium Corynebacterium diphtheriae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	48.638, 68.318, 69.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 1.520
R-factor	0.168
Rwork	0.167
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pwp
RMSD bond length	0.006
RMSD bond angle	1.068
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.520
Number of reflections	36061
Completeness [%]	99.8	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	287	0.2M sodium acetate, 0.1M Tris-HCl pH 8.5, 30% PEG4K, VAPOR DIFFUSION, HANGING DROP, temperature 287K