6FH3

Protein arginine kinase McsB in the pArg-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	49.000, 77.110, 94.130
Unit cell angles	90.00, 98.08, 90.00

Refinement procedure

Resolution	48.510 - 1.850
R-factor	0.1823
Rwork	0.181
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m15
RMSD bond length	0.008
RMSD bond angle	1.019
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.510	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	56542
<I/σ(I)>	29.81
Completeness [%]	95.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2		25% v/v ethylene glycol, 75 mM MES-imidazole, 58 mM sodium formate, 58 mM ammonium acetate, 58 mM sodium citrate, 58 mM sodium potassium tartrate, 58 mM sodium oxamate. Soaked with 2 mM pArg.