8GCA

Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74

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 PILATUS 6M
Wavelength(s)	1.11578
Spacegroup name	P 21 21 2
Unit cell lengths	76.066, 91.719, 106.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.830 - 1.700
R-factor	0.1609
Rwork	0.159
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.050
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.refine (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.830	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.181	1.138
Rmeas	0.197	1.242
Rpim	0.077	0.492
Number of reflections	82111	8079
<I/σ(I)>	8.83	3.12
Completeness [%]	99.7	99.42
Redundancy	6.3	6
CC(1/2)	0.997	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.74	293.15	11 mg/mL AMCase catalytic domain, 20% w/v PEG 6000, 0.1 M Sodium Acetate pH 4.74, 0.2 M Magnesium Chloride, 12.67 mM GlcNAc3