4NI6

Repeat domain 1 of Clostridium perfringens CPE0147

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.72930
Spacegroup name	P 1 21 1
Unit cell lengths	48.864, 28.978, 49.313
Unit cell angles	90.00, 115.60, 90.00

Refinement procedure

Resolution	19.420 - 1.100
R-factor	0.18353
Rwork	0.182
R-free	0.21136
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mkm
RMSD bond length	0.012
RMSD bond angle	1.348
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.420	1.160
High resolution limit [Å]	1.100	1.100
Number of reflections	49641
<I/σ(I)>	21.6
Completeness [%]	97.7	95.9
Redundancy	14.9	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	10% PEG 20,000, 20% PEG MME 550, 0.02 M amino acids (0.02 M sodium L-glutamate, 0.02 M DL-alanine, 0.02 M glycine, 0.02 M DL-lysine, 0.02 M DL-serine), 0.1 M MOPS/HEPES ph 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K