9YOX

Crystal structure of de novo cysteine protease (Gawi_09 WT apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	42.277, 61.189, 63.362
Unit cell angles	90.00, 105.24, 90.00

Refinement procedure

Resolution	32.880 - 2.170
R-factor	0.2137
Rwork	0.208
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.472
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]	32.880	2.280
High resolution limit [Å]	2.170	2.170
Rmerge	0.242	2.212
Rpim	0.104	0.945
Number of reflections	16674	2405
<I/σ(I)>	5.7	1.6
Completeness [%]	99.5	98.8
Redundancy	7
CC(1/2)	0.991	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	0.05M zinc acetate dihydrate, 0.05 MES pH 6.1, 11% w/v PEG 8000