4MLY

Disulfide isomerase from multidrug resistance IncA/C related integrative and conjugative elements in oxidized state (P21 space group)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	54.580, 110.460, 74.100
Unit cell angles	90.00, 93.10, 90.00

Refinement procedure

Resolution	35.081 - 2.207
R-factor	0.1887
Rwork	0.186
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.512
Data reduction software	MOSFLM
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]	42.790	2.270
High resolution limit [Å]	2.207	2.207
Rmerge	0.049	0.244
Number of reflections	43861
<I/σ(I)>	16.2	5
Completeness [%]	99.4	93.4
Redundancy	4.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10% PEG4000, 20% v/v glycerol, 0.1 M MES/imidazole, 20 mM 1,6-hexanediol, 20 mM 1-butanol, 20 mM 1,2-propanediol (racemic), 20 mM 2-propanol, 20 mM 1,4-butanediol, 20 mM 1,3-propanediol , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K