3S5X

Structure of the cyanobacterial Oscillatoria Agardhii Agglutinin (OAA) in complex with a3,a6 mannopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2010-07-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	35.192, 49.070, 69.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.190 - 1.650
R-factor	0.18156
Rwork	0.178
R-free	0.21874
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s5v
RMSD bond length	0.012
RMSD bond angle	1.532
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0044)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.190	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.056	0.118
Number of reflections	13024
<I/σ(I)>	27.5	13.2
Completeness [%]	96.4	87.4
Redundancy	12.02	8.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	2.0 M (NH4)SO4 and 0.1 M Tris-HCl (pH 8.5) with protein and 3,6-mannopentaose at molar ratios of 1:2, 1:3, or 1:4 (the protein concentration kept at 40 mg/ml), VAPOR DIFFUSION, SITTING DROP, temperature 298K