8FRG

Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.43

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	92.893, 105.041, 70.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.590 - 1.740
R-factor	0.1677
Rwork	0.166
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.952
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	1.803
High resolution limit [Å]	1.740	1.740
Rmerge	0.132	0.467
Rmeas	0.145	0.519
Rpim	0.058	0.221
Number of reflections	71369	37138
<I/σ(I)>	6.18	2.56
Completeness [%]	99.6	99.05
Redundancy	5.9	5.3
CC(1/2)	0.994	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.43	293.15	11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.43 0.2 M Magnesium Chloride 29.00 mM GlcNAc2