4ML1

Disulfide isomerase (DsbP) from multidrug resistance IncA/C transferable plasmid in oxidized state (P212121 space group)

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 21 21 21
Unit cell lengths	54.330, 108.270, 139.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.603 - 1.978
R-factor	0.1944
Rwork	0.192
R-free	0.24250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.468
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.140	2.090
High resolution limit [Å]	1.978	1.978
Rmerge	0.079	0.465
Number of reflections	58014
<I/σ(I)>	8.9	2.5
Completeness [%]	99.7	99.2
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	15% PEG3350, 0.1 M sodium malonate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K