3B50

Structure of H. influenzae sialic acid binding protein bound to Neu5Ac.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-07
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	47.527, 74.598, 86.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.370 - 1.400
R-factor	0.163
Rwork	0.161
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.463
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.370	36.370	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.079	0.032	0.494
Total number of observations		46054	31685
Number of reflections	61154
<I/σ(I)>	10.1	31.8	2.5
Completeness [%]	99.6	99.9	96.8
Redundancy	7.03	7.07	5.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	290	37 mg/mL SiaP in 20 mM HEPES, 10 mM NaCl, 10 mM Neu5Ac, pH 8.0 and reservoir solution (100 mM MES, 30% w/v PEG 6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K