2E4M

Crystal structure of hemagglutinin subcomponent complex (HA-33/HA-17) from Clostridium botulinum serotype D strain 4947

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-04-21
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	239.132, 239.132, 100.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.810 - 1.850
R-factor	0.19553
Rwork	0.194
R-free	0.22879
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qxm
RMSD bond length	0.015
RMSD bond angle	1.480
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	119.520
High resolution limit [Å]	1.850
Number of reflections	92648
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	7% PEG 8000, 0.1M MES, 0.1M Magnesium Chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	7% PEG 8000, 0.1M MES, 0.1M Magnesium Chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K