9FBR

Deletion mutant of chitinase MmChi60

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9168
Spacegroup name	C 2 2 21
Unit cell lengths	50.499, 74.086, 175.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.892 - 1.743
Rwork	0.176
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.481
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.740	1.740
Rmerge	0.085	0.854
Rmeas	0.099	0.990
Number of reflections	33204	5274
<I/σ(I)>	9.97	1.32
Completeness [%]	97.4	97.1
Redundancy	3.7	3.9
CC(1/2)	0.997	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	22% (w/v) Poly(acrylic acid sodium salt) average Mw ~5100 Da, 0.02 M MgCl2, 0.1 M HEPES pH 7.5, with N,N',N'', N'''-tetraacetylchitotetraose (NAG4 )