9AYN

Mycolicibacterium smegmatis ClpS with bound Ni2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	51.493, 52.262, 54.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.320 - 0.970
R-factor	0.1195
Rwork	0.118
R-free	0.13900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.976
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]	27.320	0.990
High resolution limit [Å]	0.970	0.970
Rmerge	0.029	0.683
Rmeas	0.036	0.760
Rpim	0.014	0.327
Number of reflections	87769	4327
<I/σ(I)>	60.3	9.71
Completeness [%]	99.9	99.5
Redundancy	8.3	5.2
CC(1/2)	0.999	0.800

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 cryoprotected in 0.1 M HEPES pH 7.5, 40% PEG3350, 5 mM NiCl2