6DNV

Crystal Structure of Neisseria meningitidis DsbD n-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	2016-03-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 3 2 1
Unit cell lengths	116.980, 116.980, 45.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.726 - 1.603
R-factor	0.1732
Rwork	0.172
R-free	0.19720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.059
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (dev_1951)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	101.308	41.726	1.690
High resolution limit [Å]	1.603	5.070	1.603
Rmerge		0.046	1.832
Rmeas	0.150	0.048	1.927
Rpim	0.046	0.015	0.594
Number of reflections	47439	1591	6907
<I/σ(I)>	11.4	13.2	0.4
Completeness [%]	100.0	99.9	100
Redundancy	10.6	10.7	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	2.5 M ammonium sulfate, 0.1 M Tris pH 9.1