2PEX

Structure of reduced C22S OhrR from Xanthamonas Campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2006-03-10
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	54.290, 77.790, 77.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.630 - 1.900
R-factor	0.236
Rwork	0.236
R-free	0.27800
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	SOLVE (2.10)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.630	25.630	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.063	0.030	0.401
Total number of observations		38682	35441
Number of reflections	26616
<I/σ(I)>	20.4	66.8	4.6
Completeness [%]	100.0	100	100
Redundancy	13.79	13.3	13.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	4M sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP		298	4M sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K