2XUC

Natural product-guided discovery of a fungal chitinase inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	287
Spacegroup name	P 32
Unit cell lengths	100.039, 100.039, 111.156
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.640 - 2.300
R-factor	0.23345
Rwork	0.233
R-free	0.27749
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.801
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.010
High resolution limit [Å]	2.300
Rmerge	0.110
Number of reflections	55123
<I/σ(I)>	12.4
Completeness [%]	99.9
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1