6MJN

Crystal structure of an organic hydroperoxide resistance protein OsmC, predicted redox protein, regulator of sulfide bond formation from Legionella pneumophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99999
Spacegroup name	P 1 21 1
Unit cell lengths	76.550, 51.400, 82.340
Unit cell angles	90.00, 110.09, 90.00

Refinement procedure

Resolution	42.806 - 1.750
R-factor	0.183
Rwork	0.181
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eer
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.806	42.806	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.034	0.024	0.435
Rmeas	0.040	0.029	0.517
Number of reflections	59868	711	4472
<I/σ(I)>	15.56	30.96	2.54
Completeness [%]	98.1	95.6	99.7
Redundancy	3.3	3.114	3.449
CC(1/2)	0.999	0.998	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	287	LepnA.00074.a.B1.PS38428 at 20.78 mg/mL against MCSG1 screen condition C4: 0.17 M ammonium acetate, 0.085 M sodium acetate pH 4.6, 25.5% PEG 4000, 15% ethylene glycol, crystal tracking ID 300656c4, unique puck ID zem2-15