4ML6

Disulfide isomerase from multidrug resistance IncA/C conjugative plasmid in reduced state

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	2013-05-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	54.690, 110.598, 80.744
Unit cell angles	90.00, 96.83, 90.00

Refinement procedure

Resolution	33.780 - 2.300
R-factor	0.1925
Rwork	0.190
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.047	0.366
Number of reflections	42056
<I/σ(I)>	16	3.4
Completeness [%]	99.2	100
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% w/v PEG8000, 20% v/v ethylene glycol, 0.1 M MOPS/HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K