9YP0

Crystal structure of de novo cysteine protease (HC34 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	2025-08-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97931
Spacegroup name	P 21 21 21
Unit cell lengths	37.441, 57.035, 75.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.880 - 1.770
R-factor	0.202
Rwork	0.197
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
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]	37.880	1.860
High resolution limit [Å]	1.770	1.770
Rmerge	0.284	1.800
Rpim	0.096	0.616
Number of reflections	16545	2357
<I/σ(I)>	9.5	2
Completeness [%]	100.0	99.6
Redundancy	9.9
CC(1/2)	0.995	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.6M sodium citrate pH 6.5