5F2Q

C-type lectin from Bothrops jararacussu

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-11
Detector	MAR CCD 165 mm
Wavelength(s)	1.461
Spacegroup name	P 21 21 21
Unit cell lengths	91.250, 115.150, 156.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.417 - 2.950
R-factor	0.2075
Rwork	0.204
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jzn
RMSD bond length	0.009
RMSD bond angle	0.670
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.417	3.056
High resolution limit [Å]	2.950	2.950
Rmerge	0.064	0.319
Number of reflections	35453
<I/σ(I)>	8.51	2.25
Completeness [%]	99.8	99.97
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1 M HEPES pH 7.5, 12.5% w/v polyethylene glycol 8k and 20% v/v ethylene glycol