8SZO

Canavalia villosa lectin in complex with alpha-methyl-mannoside

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	PIXEL
Collection date	2017-10-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45
Spacegroup name	I 2 2 2
Unit cell lengths	61.490, 84.440, 89.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.480 - 2.500
R-factor	0.1848
Rwork	0.181
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.998
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.480	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.112	0.433
Rmeas	0.126	0.489
Rpim	0.056	0.224
Total number of observations	40674	5399
Number of reflections	8301	1200
<I/σ(I)>	8.9	3
Completeness [%]	99.8
Redundancy	4.9	4.5
CC(1/2)	0.991	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	298	PEG1000, potassium citrate phosphate, lithium sulfate