6CJ9

Crystal structure of lectin from Dioclea lasiophylla seeds (DlyL) complexed with X-Man

Replaces:  5U37

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	I 2 2 2
Unit cell lengths	64.100, 86.930, 92.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.860 - 1.700
R-factor	0.185
Rwork	0.183
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2je7
RMSD bond length	0.006
RMSD bond angle	0.972
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.860	27.860	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.085	0.041	0.522
Rmeas	0.094	0.060	0.046
Rpim	0.039	0.024	0.019
Number of reflections	28693	996	4097
<I/σ(I)>	9.4
Completeness [%]	99.4	99.2	98.8
Redundancy	5.4	5.9	4.1
CC(1/2)	0.996	0.998	0.799

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	100 mM HEPES pH 6.8 8% PEG 6000