4PIK

Crystal Structure of Banana Lectin bound to dimannose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07820
Spacegroup name	P 1 21 1
Unit cell lengths	50.456, 94.708, 63.347
Unit cell angles	90.00, 97.50, 90.00

Refinement procedure

Resolution	38.310 - 1.700
R-factor	0.1646
Rwork	0.163
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.045	0.027	0.175
Total number of observations	244785
Number of reflections	64911
<I/σ(I)>	15.9
Completeness [%]	99.9	99.7	99.3
Redundancy	3.8	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	10-20% PEG 8000, 0.05M Potassium Phosphate