6DPS

Crystal Structure of Neisseria meningitidis DsbD n-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	2013-05-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 3
Unit cell lengths	147.643, 147.643, 147.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.809 - 2.556
R-factor	0.181
Rwork	0.178
R-free	0.23510
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.550	5.490	2.550
Rmerge	0.136	0.093	0.861
Number of reflections	34928	3626	3434
<I/σ(I)>	12.5
Completeness [%]	99.9	99.3	100
Redundancy	13.1	13.1	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	8-20% w/v PEG 6000, 100 mM MES pH 6.4, 20 mM ZnCl2