8FG5

Apo mouse acidic mammalian chitinase, catalytic domain at 100 K

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	2021-04-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.11664
Spacegroup name	P 1 21 1
Unit cell lengths	60.040, 42.250, 67.410
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	59.790 - 1.300
R-factor	0.1327
Rwork	0.132
R-free	0.15180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fxy
RMSD bond length	0.006
RMSD bond angle	0.875
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	Inner shell	Outer shell
Low resolution limit [Å]	59.790	59.860	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.134	0.083	2.329
Rmeas	0.137	0.084	2.382
Rpim	0.027	0.017	0.493
Number of reflections	83050	4311	4129
<I/σ(I)>	13.31	42.2	1.7
Completeness [%]	100.0	100	100
Redundancy	25.3	24.4	22.7
CC(1/2)	0.976	0.999	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293.15	11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.0 0.2 M Magnesium Chloride