7UVU

Crystal structure of human ClpP protease in complex with TR-107

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	142.147, 152.662, 104.342
Unit cell angles	90.00, 118.01, 90.00

Refinement procedure

Resolution	48.470 - 3.240
R-factor	0.1945
Rwork	0.190
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bba
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.360
High resolution limit [Å]	3.240	8.940	3.300
Rmerge	0.286	0.082	0.943
Rmeas	0.310	0.088	1.028
Rpim	0.119	0.033	0.405
Number of reflections	30288	1575	1449
<I/σ(I)>	1.9
Completeness [%]	98.7	99.8	96.6
Redundancy	6.6	6.8	6.1
CC(1/2)		0.996	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M sodium acetate, 5% PEG 4000