8B48

Structure of Lentithecium fluviatile carbohydrate esterase from the CE15 family (LfCE15C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.980779
Spacegroup name	P 1
Unit cell lengths	70.740, 79.570, 86.010
Unit cell angles	113.32, 98.53, 94.44

Refinement procedure

Resolution	47.254 - 2.650
Rwork	0.238
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pic
RMSD bond length	0.006
RMSD bond angle	1.448
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.254	2.720
High resolution limit [Å]	2.650	2.650
Number of reflections	47781	3530
<I/σ(I)>	4.3	1
Completeness [%]	97.4	97.2
Redundancy	3.8	3.9
CC(1/2)	0.982	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	Protein stock: 13.7 mg/mL in 20 mM Tris pH 8.0 Reservoir: 0.2 M Ammonium formate pH 6.6, 20 %w/v PEG 3350 Drop: 3:1 protein to reservoir ratio