7VRG

Crystal structure of chitinase-h from O. furnacalis in complex with Lynamicin B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-10-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97852
Spacegroup name	P 1
Unit cell lengths	70.908, 77.859, 81.972
Unit cell angles	113.63, 109.90, 95.00

Refinement procedure

Resolution	43.030 - 2.400
R-factor	0.2345
Rwork	0.234
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gqb
RMSD bond length	0.008
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.034	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	108457	7985
<I/σ(I)>	4.64	0.88
Completeness [%]	94.6	94.2
Redundancy	3.5	3.6
CC(1/2)	0.978	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	100mM HEPES pH 7.0, 26% (w/v) Jeffamine ED-2001