5HFI

Cytosolic disulfide reductase DsbM from Pseudomonas aeruginosa with GSH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97960
Spacegroup name	P 41 21 2
Unit cell lengths	39.199, 39.199, 236.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.735 - 1.801
R-factor	0.1978
Rwork	0.193
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hfg
RMSD bond length	0.003
RMSD bond angle	0.695
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.473
Number of reflections	18406
<I/σ(I)>	37	7.2
Completeness [%]	99.8	99.8
Redundancy	12.1	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	287	0.1M Bis Tris-HCl (pH 6.5), 1% (vol/vol) Tacsimate (Hampton), 2mM Tris(2-carboxyethyl)phosphine, 20% (wt/vol) PEG 3350, 5mM GSSG