5EYX

Monoclinic Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-28
Detector	MAR CCD 165 mm
Wavelength(s)	1.47
Spacegroup name	C 1 2 1
Unit cell lengths	145.840, 41.550, 94.640
Unit cell angles	90.00, 102.40, 90.00

Refinement procedure

Resolution	35.917 - 2.250
R-factor	0.1883
Rwork	0.186
R-free	0.23740
RMSD bond length	0.012
RMSD bond angle	1.159
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.220	46.220	2.370
High resolution limit [Å]	2.250	7.120	2.250
Rmerge	0.089	0.038	0.419
Rmeas	0.105
Rpim	0.055	0.028	0.026
Total number of observations	91499	3093	12138
Number of reflections	26369
<I/σ(I)>	10.8	18.5	3.7
Completeness [%]	98.4	99.6	93.6
Redundancy	3.5	3.4	3.3
CC(1/2)	0.993	0.999	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Peg 8000, 2-pentanediol, Hepes sodium.