7Z3T

Crystal structure of apo human Cathepsin L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-07
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033
Spacegroup name	P 1
Unit cell lengths	56.940, 62.140, 67.470
Unit cell angles	105.17, 94.23, 115.58

Refinement procedure

Resolution	49.940 - 1.600
R-factor	0.1551
Rwork	0.155
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qkc
RMSD bond length	0.005
RMSD bond angle	0.796
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHENIX (1.18-3855_9999)
Refinement software	PHENIX (1.18-3855_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.940	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.166	2.183
Rmeas	0.179	2.345
Rpim	0.066	0.839
Number of reflections	101082	10076
<I/σ(I)>	9.07	2.33
Completeness [%]	97.2	96.66
Redundancy	7.2	7.6
CC(1/2)	0.990	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	Mature cathepsin L at a concentration of 7 mg/ml was equilibrated against 27% w/v PEG 8000, 1 mM TCEP and 0.1 M sodium acetate at pH 4.0. Crystals, which grew at 293 K to final size after approximately 3 days.