4K1Z

Crystal structure of Canavalia boliviana lectin in complex with Man1-4Man-OMe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9999
Spacegroup name	P 41 21 2
Unit cell lengths	107.810, 107.810, 157.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.149 - 2.300
R-factor	0.1644
Rwork	0.161
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.882
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.038	41.149	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.046	0.259
Number of reflections	42106
<I/σ(I)>	26.4	13.2	2.8
Completeness [%]	100.0	99.5	100
Redundancy	29.2	25.8	29.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor difusion, hanging drop	4.6	293	0.1 M CdCl2, 0.1M NaOAc, 30% PEG 400, pH 4.6, vapor difusion, hanging drop, temperature 293K