5YYB

Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi with Neu5Gc

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-07
Detector	NOIR-1
Wavelength(s)	0.9778, 0.9546, 0.9783
Spacegroup name	C 1 2 1
Unit cell lengths	134.413, 70.125, 113.081
Unit cell angles	90.00, 114.24, 90.00

Refinement procedure

Resolution	28.993 - 2.484
R-factor	0.176
Rwork	0.172
R-free	0.24920
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	d*TREK
Data scaling software	Aimless
Phasing software	SOLVE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.990	28.990	2.590
High resolution limit [Å]	2.480	8.960	2.480
Rmerge	0.116	0.046	0.549
Rmeas	0.135	0.054	0.641
Rpim	0.069	0.028	0.329
Total number of observations	124762	2602	11816
Number of reflections	33076	719	3289
<I/σ(I)>	7.2	26.3	2.3
Completeness [%]	97.2	93.9	85.6
Redundancy	3.8	3.6	3.6
CC(1/2)	0.993	0.997	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20mM MES, 60mM NaCl, 30% PEG1500 pH 6.2