1XEZ

Crystal Structure Of The Vibrio Cholerae Cytolysin (HlyA) Pro-Toxin With Octylglucoside Bound

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97945, 0.97911, 0.97244
Spacegroup name	P 21 21 21
Unit cell lengths	81.211, 97.321, 135.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.23
Rwork	0.207
R-free	0.24600
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.330
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	45034
<I/σ(I)>	14.5	2.2
Completeness [%]	92.0	61.2
Redundancy	3.36	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	290	PEG 8000, ethylene glycol, b-octylglucoside, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K
1	VAPOR DIFFUSION, HANGING DROP	7	290	PEG 8000, ethylene glycol, b-octylglucoside, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K