3BCI

Crystal Structure of Staphylococcus aureus DsbA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-12-16
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 65
Unit cell lengths	72.099, 72.099, 92.098
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.570 - 1.810
Rwork	0.198
R-free	0.21900
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	d*TREK
Data scaling software	d*TREK (9.1SSI)
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.060	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.050	0.387
Number of reflections	24921
<I/σ(I)>	21.9	3.3
Completeness [%]	99.1	91.6
Redundancy	9.5	3.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	28-30% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP		293	28-30% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K