2OX5

The SoxYZ complex of Paracoccus pantotrophus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793, 0.8731
Spacegroup name	C 1 2 1
Unit cell lengths	206.605, 54.708, 77.884
Unit cell angles	90.00, 98.58, 90.00

Refinement procedure

Resolution	50.000 - 1.980
R-factor	0.175
Rwork	0.173
R-free	0.21100
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.354
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	102.147	39.910	2.090
High resolution limit [Å]	1.981	6.260	1.980
Rmerge	0.070	0.044	0.270
Total number of observations		7868	23487
Number of reflections	59443
<I/σ(I)>	8.6	11.5	2.7
Completeness [%]	98.7	99.6	91.3
Redundancy	4	3.9	3

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 8.0, 5 mM beta-mercaptoethanol and 200 mM NaCl mixed with 2 microl of 28-30 % (w/v) PEG 3350, 100 mM sodium acetate pH 4.75, 200 mM NH4SO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K