8UAC

CATHEPSIN L IN COMPLEX WITH AC1115

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	45.880, 76.460, 102.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.418 - 1.400
Rwork	0.207
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.627
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.320	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	71556	3493
<I/σ(I)>	6.6	0.6
Completeness [%]	99.6	99.8
Redundancy	11.8
CC(1/2)	0.997	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M NaAc, pH 5.5, 25% PEG 3350