11CM

Crystal structure of the protease -Zn(II) - substrate complex of ZnO7

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	2026-01-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	66.510, 66.510, 80.475
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.260 - 2.370
R-factor	0.2356
Rwork	0.230
R-free	0.28670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.456
Data reduction software	AutoPD
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.260	2.500
High resolution limit [Å]	2.370	2.370
Rmerge	0.650	3.360
Rpim	0.150	0.780
Number of reflections	8753	1240
<I/σ(I)>	4.3	1.1
Completeness [%]	100.0	100
Redundancy	19.9	20
CC(1/2)	0.978	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.65 M Imidazole pH 7.0, and 35% v/v Glycerol