7YWW

Monocot chimeric jacalin JAC1 from Oryza sativa: lectin domain (crystal form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.919
Spacegroup name	C 2 2 21
Unit cell lengths	80.320, 99.630, 93.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.870 - 1.400
R-factor	0.17
Rwork	0.169
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pif
RMSD bond length	0.013
RMSD bond angle	1.190
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]	52.020	1.440
High resolution limit [Å]	1.400	1.400
Number of reflections	71961	5441
<I/σ(I)>	9.65	0.85
Completeness [%]	97.2	99.5
Redundancy	3.74	3.74
CC(1/2)	0.999	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	PEG 3350, ammonium iodide, potassium phosphate, N-acetylgalactosamine