5U38

Crystal structure of native lectin from Platypodium elegans seeds (PELa) complexed with Man1-3Man-OMe.

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	2016-10-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.42
Spacegroup name	C 2 2 21
Unit cell lengths	53.240, 87.510, 120.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.620 - 1.600
R-factor	0.1851
Rwork	0.184
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zvx
RMSD bond length	0.031
RMSD bond angle	0.856
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.620	26.620	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.123	0.048	0.435
Rmeas	0.136
Rpim	0.056
Total number of observations	201256
Number of reflections	37353
<I/σ(I)>	7.2
Completeness [%]	99.8	99.4	99.8
Redundancy	5.4	6.1	3.7
CC(1/2)	0.992	0.997	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.9	293	100 mM Bicine pH 8.9 10% PEG 20000 3% 1,4-dioxane