2OZ1

The SoxAX Complex of Rhodovulum Sulfidophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.931
Spacegroup name	P 1 21 1
Unit cell lengths	80.975, 102.949, 115.706
Unit cell angles	90.00, 110.22, 90.00

Refinement procedure

Resolution	50.000 - 2.350
R-factor	0.189
Rwork	0.187
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h33
RMSD bond length	0.011
RMSD bond angle	1.331
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	108.577	54.310	2.470
High resolution limit [Å]	2.345	7.410	2.340
Rmerge	0.086	0.065	0.189
Total number of observations		6279	13326
Number of reflections	71803
<I/σ(I)>	7.4	7.5	3.7
Completeness [%]	96.0	95.4	81.5
Redundancy	2.7	2.7	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	15% (w/v) PEG 4K, 0.2 M magnesium acetate, 100 mM sodium MES buffer pH 6.5. The crystals could be cryoprotected by transferring them to stabilization solution containing 25% (v/v) ethylene glycol. , VAPOR DIFFUSION, HANGING DROP, temperature 277K