4MKM

Repeat domains 1 & 2 of Clostridium perfringens Cpe0147

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 21
Unit cell lengths	48.188, 63.448, 104.984
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.620 - 1.750
R-factor	0.2009
Rwork	0.199
R-free	0.22860
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.240
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.620	1.840
High resolution limit [Å]	1.750	1.750
Number of reflections	33221
<I/σ(I)>	16.9
Completeness [%]	99.9	99.7
Redundancy	14.5	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	12.5% PEG1000, 12.5% PEG 3350, 12.5% MPD, 0.03 M MgCl2, 0.03 M CaCl2- and 0.1 M bicine/Trizma base pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K