4X2E

Clostridium difficile wild type Fic protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8729
Spacegroup name	C 2 2 21
Unit cell lengths	57.420, 157.370, 262.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.945 - 3.104
R-factor	0.2454
Rwork	0.243
R-free	0.28580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x2c
RMSD bond length	0.003
RMSD bond angle	0.733
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.930		3.200
High resolution limit [Å]	3.100	10.000	3.100
Rmerge	0.161	0.049	1.069
Rmeas	0.173	0.053	1.140
Total number of observations	178303
Number of reflections	22213	745	1999
<I/σ(I)>	9.71	26.06	1.7
Completeness [%]	99.9	98.2	99.9
Redundancy	8.02		8.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25 % (w/v) PEG 8000, 0.2 M MgCl2, 0.1 M Hepes pH 7.5.