9BBJ

M. tuberculosis ClpC1-NTD complexed with a click chemistry analog of Rufomycin

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-15
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.12723
Spacegroup name	P 43 21 2
Unit cell lengths	57.970, 57.970, 131.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.150 - 2.560
R-factor	0.261
Rwork	0.259
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.970	2.670
High resolution limit [Å]	2.560	2.560
Rmerge	0.075	0.670
Rmeas	0.078	0.698
Rpim	0.023	0.194
Total number of observations		11912
Number of reflections	13920	929
<I/σ(I)>	16.7	3.6
Completeness [%]	100.0
Redundancy	12	12.8
CC(1/2)	0.998	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	22% PEG 3K 0.2M calcium acetate 0.1M Bis-Tris pH 6.5