2F6E

Clostridium difficile Toxin A C-terminal fragment 1 (TcdA-f1)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979571,0.979741,1.019867
Spacegroup name	P 41 21 2
Unit cell lengths	42.050, 42.050, 132.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.160 - 1.850
R-factor	0.16191
Rwork	0.160
R-free	0.20500
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.160	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.057	0.187
Number of reflections	10716
<I/σ(I)>	21.4	7.4
Completeness [%]	99.3	95.7
Redundancy	6.4	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	250 mM ammonium tartrate, 100 mM sodium acetate, 20% glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K