4GX7

Vibrio Cholerae Cytolysin Beta-Prism Domain With Methyl-Alpha-Mannose Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-30
Detector	OXFORD ONYX CCD
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	99.770, 99.770, 172.366
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.895 - 2.850
R-factor	0.1973
Rwork	0.195
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1XEZ (Residues 585-716)
RMSD bond length	0.005
RMSD bond angle	1.045
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.895	24.895	3.000
High resolution limit [Å]	2.850	9.010	2.850
Rmerge		0.045	0.477
Total number of observations		3224	16809
Number of reflections	23789
<I/σ(I)>	7.1	15.6	1.5
Completeness [%]	99.8	94.8	100
Redundancy	4.9	4.1	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M ammonium acetate, 0.1 M Bis-tris, 25% PEG 3350, 30 mM Me-alpha-mannose, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K