9AZ5

Mycolicibacterium smegmatis ClpS with bound Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-28
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	51.367, 52.289, 54.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.300 - 1.470
R-factor	0.1507
Rwork	0.149
R-free	0.18450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.138
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.430	1.500
High resolution limit [Å]	1.470	1.470
Rmerge	0.048	0.509
Rmeas	0.052	0.696
Rpim	0.017	0.472
Number of reflections	24656	652
<I/σ(I)>	23.9	1.14
Completeness [%]	95.9
Redundancy	7.5	1.7
CC(1/2)		0.698

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: 0.1 M HEPES pH 7.5, 40% PEG3350, 5 mM MgCl2