4O9X

Crystal Structure of TcdB2-TccC3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00717
Spacegroup name	P 32 2 1
Unit cell lengths	232.360, 232.360, 143.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.773 - 2.170
R-factor	0.1934
Rwork	0.192
R-free	0.21550
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.166
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.170
Rmerge	0.178
Number of reflections	183387
<I/σ(I)>	17.47
Completeness [%]	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Trisodium citrate pH 5.5, 0.1 M MgCl2, 0.1 M NaCl and 12 % PEG 4,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Trisodium citrate pH 5.5, 0.1 M MgCl2, 0.1 M NaCl and 12 % PEG 4,000, VAPOR DIFFUSION, HANGING DROP, temperature 298K