9YNM

Crystal structure of de novo cysteine protease (Dokki_15 WT apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91989
Spacegroup name	P 21 21 21
Unit cell lengths	38.228, 61.859, 74.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.040 - 1.560
R-factor	0.1732
Rwork	0.172
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.147
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.040	1.590
High resolution limit [Å]	1.560	1.560
Rmerge	0.088	0.735
Rpim	0.026	0.256
Number of reflections	25764	1212
<I/σ(I)>	14.4	2.2
Completeness [%]	99.2
Redundancy	13
CC(1/2)	0.999	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M BIS-TRIS pH 6.5, 20% w/v polyethylene glycol monomethyl ether 5000