7BTL

Mevo lectin complex with mannopentose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999
Spacegroup name	P 2 21 21
Unit cell lengths	51.830, 168.940, 169.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.034 - 2.250
Rwork	0.253
R-free	0.29490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bt8
RMSD bond length	0.017
RMSD bond angle	2.124
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.040	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.210	0.470
Number of reflections	71908	10315
<I/σ(I)>	5.8	2.8
Completeness [%]	100.0	100
Redundancy	6.7	6.7
CC(1/2)	0.980	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	296	6%(v/v) Tacsimate pH 6.0, 0.1 M MES monohydrate pH 6.0, 25%(w/v) polyethylene glycol 4000