7YWG

Monocot chimeric jacalin JAC1 from Oryza sativa: lectin domain (crystal form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97879
Spacegroup name	P 21 21 21
Unit cell lengths	34.930, 63.510, 105.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.460 - 1.100
R-factor	0.1568
Rwork	0.155
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pif
RMSD bond length	0.007
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.460	1.130
High resolution limit [Å]	1.100	1.100
Number of reflections	87556	3988
<I/σ(I)>	5.45	0.85
Completeness [%]	90.9	56.7
Redundancy	2.25	1.35
CC(1/2)	0.988	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	PEG 3350, MES, potassium phosphate, sodium chloride