3LM2

Crystal structure of Putative kinase. (17743352) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.96109,0.97949,0.97936
Spacegroup name	P 1
Unit cell lengths	47.907, 49.598, 57.328
Unit cell angles	97.98, 104.64, 109.97

Refinement procedure

Resolution	29.130 - 1.700
R-factor	0.161
Rwork	0.160
R-free	0.18600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.130	29.130	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.060	0.051	0.151
Number of reflections	48619	9136	7931
<I/σ(I)>	6.16	10	2.1
Completeness [%]	85.7	88.4	77.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	20.0000% polyethylene glycol 3350, 0.2000M calcium acetate, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K