8FRB

Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11578
Spacegroup name	P 21 21 21
Unit cell lengths	91.926, 106.963, 146.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.290 - 1.700
R-factor	0.1441
Rwork	0.142
R-free	0.17770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.918
Data reduction software	xia2 (0.3.8.0)
Data scaling software	DIALS (2.2.10-g6dafd9427-release)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.290	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.111	0.559
Rmeas	0.121	0.610
Rpim	0.047	0.241
Number of reflections	158679	15679
<I/σ(I)>	9.09	3.1
Completeness [%]	99.9	99.88
Redundancy	6.4	6.3
CC(1/2)	0.997	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.25	293.15	11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.25 0.2 M Magnesium Chloride 19.33 mM GlcNAc2