8UX7

Dioclea megacarpa lectin (DmegA) complexed with X-Man

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	2022-07-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.46
Spacegroup name	I 2 2 2
Unit cell lengths	89.350, 109.414, 126.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.661 - 2.200
Rwork	0.201
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.477
Data reduction software	MOSFLM (7.4.0)
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP (11.0)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.661	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.088	1.148
Rmeas	0.092	1.193
Rpim	0.025	0.322
Total number of observations		36823
Number of reflections	31790	2714
<I/σ(I)>	21.6	2.5
Completeness [%]	100.0
Redundancy	13.1	13.6
CC(1/2)	1.000	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.8M Potassium sodium tartrate tetrahydrate, 0.1M Tris pH 8.5, 0.5% PEGME 5000