2J1U

Structure of a Streptococcus pneumoniae fucose binding module in complex with the blood group A-tetrasaccharide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	113
Spacegroup name	P 21 21 21
Unit cell lengths	43.649, 60.372, 99.087
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.300 - 1.800
R-factor	0.174
Rwork	0.171
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.690
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.070	0.320
Number of reflections	23677
<I/σ(I)>	9.6	3
Completeness [%]	94.9	98.5
Redundancy	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1