6XYZ

Crystal structure of the GH18 chitinase ChiB from the chitin utilization locus of Flavobacterium johnsoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-03
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	43.910, 66.440, 53.440
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	36.360 - 1.630
R-factor	0.1588
Rwork	0.157
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fnd
RMSD bond length	0.006
RMSD bond angle	0.782
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.360	1.688
High resolution limit [Å]	1.630	1.630
Rmerge	0.043	0.207
Rmeas	0.049	0.232
Rpim	0.022	0.105
Number of reflections	34484	2962
<I/σ(I)>	19.71	6.25
Completeness [%]	90.7	77.85
Redundancy	4.7	4.8
CC(1/2)	1.000	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.15 M magnesium formate and 15% PEG3550