3ZJX

Clostridium perfringens epsilon toxin mutant H149A bound to octyl glucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-12
Detector	RIGAKU SATURN 944
Spacegroup name	P 3
Unit cell lengths	123.709, 123.709, 127.314
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.560 - 2.400
R-factor	0.24817
Rwork	0.247
R-free	0.27543
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uyj
RMSD bond length	0.008
RMSD bond angle	1.384
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.560	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.060	0.440
Number of reflections	85072
<I/σ(I)>	12.3	1.2
Completeness [%]	100.0	99.9
Redundancy	3.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.85 M AMMONIUM DIHYDROGEN PHOSPHATE AND 0.5% (W/V) OCTYLGLUCOSIDE