8CIK

Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 1 2 1
Unit cell lengths	142.390, 41.630, 54.550
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	46.190 - 2.220
R-factor	0.2012
Rwork	0.198
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.506
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.220	2.220
Rmerge	0.095	1.661
Rmeas	0.114	1.972
Number of reflections	15426	2365
<I/σ(I)>	7.58	0.78
Completeness [%]	96.6	92.5
Redundancy	3.4	3.5
CC(1/2)	0.990	0.516

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG 6000, tris, calcium chloride