8FRC

Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 4.91

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	70.933, 92.690, 105.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.930 - 1.920
R-factor	0.1494
Rwork	0.147
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.914
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]	105.120	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.153	0.568
Rmeas	0.167	0.617
Rpim	0.066	0.239
Number of reflections	53659	2576
<I/σ(I)>	7.7	3
Completeness [%]	100.0	98.6
Redundancy	6.3	6.5
CC(1/2)	0.994	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.91	293.15	11 mg/mL AMCase catalytic domain; 20% w/v PEG 6000; 0.1 M Sodium Acetate pH 4.91; 0.2 M Magnesium Chloride; 29.00 mM GlcNAc2