7DED

Mevo lectin complex with mannoheptose (Man7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-04-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 42 21 2
Unit cell lengths	168.350, 168.350, 104.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.592 - 2.228
Rwork	0.246
R-free	0.26670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bsb
RMSD bond length	0.012
RMSD bond angle	1.689
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]	61.180	2.350
High resolution limit [Å]	2.220	2.230
Rmerge	0.390	0.813
Rpim	0.091	0.196
Number of reflections	73523	10366
<I/σ(I)>	7.8	3.2
Completeness [%]	99.7	98
Redundancy	19.2	17.6
CC(1/2)	0.985	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	295	Tacsimate pH 6.0, 0.1 M MES monohydrate pH 6.0, 25 % (w/v) PEG 4000