7W34

The crystal structure of human CtsL in complex with 14b

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	109.361, 109.361, 92.481
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.690 - 2.890
R-factor	0.2535
Rwork	0.248
R-free	0.30280
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]	39.690	39.690	2.970
High resolution limit [Å]	2.890	12.940	2.890
Rmerge	0.570	0.068	4.741
Rmeas	0.581	0.070	4.838
Total number of observations	169661
Number of reflections	6525	92	455
<I/σ(I)>	10.08	31.39	1.5
Completeness [%]	99.9	96.8	98.9
Redundancy	26.002	17.576	25.374
CC(1/2)	0.994	0.999	0.520

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 8mg/ml