2NRJ

Crystal Structure of Hemolysin binding component from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9772
Spacegroup name	C 1 2 1
Unit cell lengths	127.833, 28.549, 89.738
Unit cell angles	90.00, 105.01, 90.00

Refinement procedure

Resolution	26.050 - 2.030
R-factor	0.213
Rwork	0.213
R-free	0.25700
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.050	2.100
High resolution limit [Å]	2.030	2.030
Rmerge	0.085	0.272
Number of reflections	20797
<I/σ(I)>	17.5
Completeness [%]	99.7	97
Redundancy	7.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	30% PEG 4000, 0.2M Magnesium Chloride, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K