6FH2

Protein arginine kinase McsB in the AMP-PN-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 1 21 1
Unit cell lengths	50.340, 80.620, 97.250
Unit cell angles	90.00, 99.20, 90.00

Refinement procedure

Resolution	47.999 - 2.700
R-factor	0.2348
Rwork	0.232
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m15
RMSD bond length	0.008
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_3126: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	21210
<I/σ(I)>	15.99
Completeness [%]	99.8
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277.15	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 10 mM magnesium AMPPNP, which apparently hydrolysed during the procedure to ADP.