5WU0

Crystal structure of C. perfringens iota-like enterotoxin CPILE-a with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-10-29
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	70.583, 101.631, 125.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.499 - 2.251
R-factor	0.1789
Rwork	0.176
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gtt
RMSD bond length	0.008
RMSD bond angle	1.123
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.251
Number of reflections	21170
<I/σ(I)>	41.3
Completeness [%]	98.4
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	PEG 4000, Tris HCl, Magnesium chloride