7MXB

Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	104.663, 42.741, 175.327
Unit cell angles	90.00, 95.31, 90.00

Refinement procedure

Resolution	43.020 - 2.200
R-factor	0.2111
Rwork	0.209
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y0x 2pzi
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.680	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	0.514
Rmeas	0.102	0.640
Rpim	0.054	0.374
Number of reflections	78954	4080
<I/σ(I)>	9.9	2
Completeness [%]	99.1
Redundancy	3.4
CC(1/2)	0.996	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	100 mM Tris-HCl, 17% w/v PEG 20 k, 100 mM MgCl2, pH 8.5