5OFI

PllA lectin, Fluorophore carbohydrate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976251
Spacegroup name	P 21 21 21
Unit cell lengths	48.564, 134.331, 153.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.671 - 2.000
R-factor	0.1787
Rwork	0.176
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l7l
RMSD bond length	0.005
RMSD bond angle	0.681
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.115	0.423
Rmeas		0.477
Rpim		0.213
Number of reflections	65944
<I/σ(I)>	8.2	2.6
Completeness [%]	95.9	97.1
Redundancy	4.8	4.5
CC(1/2)		0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.15 M DL-Malic acid, 20% w/v PEG 3350