7W33

The crystal structure of human CtsL in complex with 14a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-20
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	I 4 2 2
Unit cell lengths	109.203, 109.203, 92.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.530 - 2.390
R-factor	0.226
Rwork	0.222
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f06
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.530	34.530	2.460
High resolution limit [Å]	2.390	10.710	2.390
Rmerge	0.330	0.079	4.594
Rmeas	0.337	0.081	4.687
Total number of observations	289600
Number of reflections	11299	160	794
<I/σ(I)>	11.26	30.83	1.73
Completeness [%]	99.7	98.2	96.6
Redundancy	25.631	19.925	25.864
CC(1/2)	0.997	0.994	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.1	289.15	100mM sodium acetate (pH 4.1), 15% (w/v) PEG 2000, protein concentration 8 mg/ml