8FR9

Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.08

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 2 21 21
Unit cell lengths	71.113, 92.641, 105.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.590 - 1.500
R-factor	0.1389
Rwork	0.138
R-free	0.16440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.099
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]	69.590	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.065	0.298
Rmeas	0.071	0.326
Rpim	0.028	0.131
Number of reflections	109127	10560
<I/σ(I)>	16.77	5.46
Completeness [%]	97.5	95.47
Redundancy	6.4	6
CC(1/2)	0.999	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.08	293.15	11 mg/mL AMCase catalytic domain; 20% w/v PEG 6000; 0.1 M Sodium Acetate pH 5.08; 0.2 M Magnesium Chloride; 19.33 mM GlcNAc2