2OXG

The SoxYZ Complex of Paracoccus pantotrophus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	C 1 2 1
Unit cell lengths	206.828, 54.717, 77.677
Unit cell angles	90.00, 98.68, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.17
Rwork	0.168
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ox5
RMSD bond length	0.011
RMSD bond angle	1.402
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	102.229	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.042	0.395
Total number of observations		44294
Number of reflections	164928
<I/σ(I)>	7.6	1.7
Completeness [%]	97.9	96.7
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	2 microl of protein at 10 mg/ml in 10 mM Tris-HCl pH 8, 5 mM DTT and 2 microl of 31-32 % (w/v) PEG 3350, 100 mM sodium acetate pH 4.75, 200 mM NH4SO4 and 2 % (v/v) glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8	293	2 microl of protein at 10 mg/ml in 10 mM Tris-HCl pH 8, 5 mM DTT and 2 microl of 31-32 % (w/v) PEG 3350, 100 mM sodium acetate pH 4.75, 200 mM NH4SO4 and 2 % (v/v) glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K