5EXG

Crystal structure of recombinant dimeric Banana lectin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92000
Spacegroup name	P 2 21 21
Unit cell lengths	47.530, 63.330, 95.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.320 - 1.700
R-factor	0.1691
Rwork	0.168
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bmy
RMSD bond length	0.019
RMSD bond angle	1.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.131	0.036	1.232
Rmeas	0.137	0.038	1.283
Total number of observations	404818
Number of reflections	32288	411	2284
<I/σ(I)>	15.77	51.89	2.07
Completeness [%]	98.8	92.2	96.5
Redundancy	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	A protein solution [10 mg/mL, in 100 mM NaCl, 20mM Tris (pH 7.4)] was mixed 1:1 (v/v) with a reservoir solution containing 0.05 M NaBr, 0.1 M Bis Tris and 19% PEG 3350 (pH 7.5)