3BCK

Crystal Structure of Staphylococcus aureus DsbA T153V

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	2006-10-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 65
Unit cell lengths	72.085, 72.085, 92.575
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.430 - 1.950
Rwork	0.223
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bci
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.430	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.066	0.523
Number of reflections	19271
<I/σ(I)>	9.3	2.1
Completeness [%]	96.8	92
Redundancy	5.06	4.07

Crystallization Conditions

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