4MMP

Structure of Sialic Acid Binding Protein from Pasturella Multocida

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	PIXEL
Collection date	2012-02-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	42.643, 77.758, 85.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.530 - 1.570
R-factor	0.1635
Rwork	0.162
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b50
RMSD bond length	0.023
RMSD bond angle	2.131
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	AMoRE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.519	85.519	1.650
High resolution limit [Å]	1.570	4.960	1.570
Rmerge		0.058	0.439
Total number of observations		8223	30115
Number of reflections	40313
<I/σ(I)>	13.1	9.9	1.7
Completeness [%]	99.4	99.8	97.1
Redundancy	6.2	5.7	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	Drops were setup with equal volume of protein and 1.6M Sodium citrate tribasic dihydrate pH 6.5(crystallization buffer) and suspended over 100 l of crystallization buffer, VAPOR DIFFUSION, HANGING DROP, temperature 277K