3GIG

Crystal structure of phosphorylated DesKC in complex with AMP-PCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	94.630, 94.630, 162.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.846 - 3.502
R-factor	0.291
Rwork	0.287
R-free	0.33500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3EHG and 3EHF
RMSD bond length	0.027
RMSD bond angle	2.718
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (2009_02_15_2320_3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.846	3.600
High resolution limit [Å]	3.500	3.500
Rmerge	0.047	0.319
Number of reflections	10993	864
<I/σ(I)>		4
Completeness [%]	99.2	99.3
Redundancy	3.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	291	PEG3000, MgCl2, CHES, AMP-PCP, pH 9.5, vapor diffusion, hanging drop, temperature 291K