6DNU

Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the oxidised form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 41
Unit cell lengths	35.796, 35.796, 188.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.796 - 2.283
R-factor	0.1923
Rwork	0.189
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.280	4.910	2.280
Rmerge	0.115	0.079	0.556
Number of reflections	10761	1103	1083
<I/σ(I)>	9.1
Completeness [%]	99.8	99.4	100
Redundancy	12.5	12.2	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	5% w/v PEG 400, 1.7-2.2 M citrate/citric acid pH 7.0 - 7.8