8FRA

Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60

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 21
Unit cell lengths	92.066, 106.705, 146.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.270 - 1.950
R-factor	0.1711
Rwork	0.169
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.660
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]	86.270	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.162	0.628
Rmeas	0.176	0.682
Rpim	0.068	0.265
Number of reflections	67775	10401
<I/σ(I)>	5.65	1.26
Completeness [%]	99.7	99.62
Redundancy	6.5	6.6
CC(1/2)	0.997	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.60 0.2 M Magnesium Chloride 19.33 mM GlcNAc2