5COM

Crystal structure of Uncharacterized Protein Q187F5 from Clostridium difficile 630

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	127.050, 50.300, 91.720
Unit cell angles	90.00, 118.70, 90.00

Refinement procedure

Resolution	61.740 - 1.850
R-factor	0.1718
Rwork	0.171
R-free	0.19430
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.078
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.740	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.073	0.630
Number of reflections	80903
<I/σ(I)>	15.8	2.4
Completeness [%]	95.4	69.4
Redundancy	7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Sodium formate, 0.1 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate, 0.1 M Sodium potassium tartrate tetrahydrate, 0.1 M Sodium oxamate 0.1 M Tris, 0.1 M Bicine, pH 8.5, 12% PEG 550 MME, 6% PEG 20,000