3LYA

Crystal structure of the periplasmic domain of CadC in the presence of K2ReCl6

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.17652, 1.17705, 1.07813
Spacegroup name	P 61 2 2
Unit cell lengths	80.561, 80.561, 199.783
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.770 - 2.300
R-factor	0.2319
Rwork	0.230
R-free	0.27134
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.752
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.770	2.420
High resolution limit [Å]	2.300	2.300
Rmerge		0.353
Number of reflections	17592
<I/σ(I)>	19.4	7.3
Completeness [%]	99.0	98.4
Redundancy	14.1	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.6 M ammonium sulfate, 6 % (v/v) 2-propanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K