5CKW

Crystal structure of LegK4_AMPPNP Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	173
Detector technology	CCD
Collection date	2013-10-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	P 1 21 1
Unit cell lengths	82.684, 76.871, 86.441
Unit cell angles	90.00, 98.19, 90.00

Refinement procedure

Resolution	40.347 - 2.490
R-factor	0.2066
Rwork	0.204
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5clr
RMSD bond length	0.009
RMSD bond angle	1.349
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.579
High resolution limit [Å]	2.490	2.490
Rmerge	0.115
Number of reflections	37547
<I/σ(I)>	11.14	1.7
Completeness [%]	99.4	95.4
Redundancy	3.8	3.6
CC(1/2)		0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	10% (w/v) polyethylene glycol (PEG) 20000, 20% (w/v) PEG 550 mono-methyl ether, 30 mM MgCl2, 30 mM CaCl2 and 100 mM Tris/Bicine pH 8.3.