4MAG

Crystal structure of the Periplasmic Sialic Acid Binding Protein from Vibrio Cholerea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-19
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	74.977, 82.315, 119.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	11.730 - 1.450
R-factor	0.184
Rwork	0.182
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b50
RMSD bond length	0.011
RMSD bond angle	1.233
Data reduction software	d*TREK (9.6L)
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.910	19.910	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.073	0.045	0.655
Total number of observations		38503	38701
Number of reflections	65409
<I/σ(I)>	7.9	28.1	1.8
Completeness [%]	99.8	97.7	100
Redundancy	6.04	5.51	5.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	36 mg/ml SiaP in 20 mM HEPES, 10 mM sodium chloride, pH 8.0 and reservoir solution (0.1 M MES, 20% w/v PEG-6000 at pH 6.0). , VAPOR DIFFUSION, HANGING DROP, temperature 277K