2J22

Structure of a Streptococcus pneumoniae fucose binding module, SpX-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	113
Spacegroup name	P 21 21 21
Unit cell lengths	30.713, 41.159, 108.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.213
Rwork	0.210
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.801
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	0.400
Number of reflections	12615
<I/σ(I)>	10	3.3
Completeness [%]	99.6	100
Redundancy	4.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1