7MK5

Crystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene

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	CCD
Collection date	2021-02-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97895
Spacegroup name	P 1 21 1
Unit cell lengths	94.331, 190.230, 169.884
Unit cell angles	90.00, 93.61, 90.00

Refinement procedure

Resolution	45.410 - 2.950
R-factor	0.2124
Rwork	0.211
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ITYF
RMSD bond length	0.010
RMSD bond angle	1.267
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	3.055
High resolution limit [Å]	2.950	2.950
Rmerge	0.175	1.250
Rpim	0.102	0.720
Number of reflections	125212	12429
<I/σ(I)>	6.9	1.2
Completeness [%]	99.7	99.7
Redundancy	3.9
CC(1/2)	0.988	0.423

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1 M sodium acetate, 30% MPD