6DNL

Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced 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	2016-09-30
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 1 21 1
Unit cell lengths	43.250, 28.060, 45.800
Unit cell angles	90.00, 100.96, 90.00

Refinement procedure

Resolution	34.298 - 1.700
R-factor	0.1789
Rwork	0.177
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.965	34.298	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.053	0.531
Rmeas	0.116	0.062	0.614
Rpim	0.059	0.031	0.306
Number of reflections	12150	418	1750
<I/σ(I)>	7.5	12.6	1.4
Completeness [%]	99.8	99	99.9
Redundancy	3.8	3.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.2 M zinc acetate dehydrate, 0.1 M sodium cacodylate trihydrate pH 7.5 and 18% w/v PEG 8000