9AYP

Mycolicibacterium smegmatis ClpS with bound Co2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-11
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.578, 52.145, 54.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.440 - 1.990
R-factor	0.1646
Rwork	0.163
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.822
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.440	2.030
High resolution limit [Å]	1.990	2.000
Rmerge	0.057	0.140
Rmeas	0.066	0.185
Rpim	0.033	0.119
Number of reflections	18251	419
<I/σ(I)>	21.4	5.16
Completeness [%]	97.9	81
Redundancy	3.5	1.7
CC(1/2)		0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.5, 12% PEG3350, 5 mM NiCl2 cryo soak: 0.1 M HEPES pH 7.5, 40% PEG3350, 5 mM CoCl2