7R5Z

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	48.990, 87.360, 93.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.680 - 1.750
R-factor	0.1929
Rwork	0.191
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ood
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MoRDa
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.680	1.800
High resolution limit [Å]	1.750	1.750
Number of reflections	41085	2914
<I/σ(I)>	10.11	0.69
Completeness [%]	99.4	97.6
Redundancy	13.72	13
CC(1/2)	0.998	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	PEG 3350, calcium chloride, Tris-HCl, dithiothreitol