2RHM

Crystal structure of a putative kinase (caur_3907) from chloroflexus aurantiacus j-10-fl at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.99187
Spacegroup name	P 21 21 21
Unit cell lengths	72.930, 76.790, 129.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.761 - 1.700
R-factor	0.183
Rwork	0.181
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.761	29.761	1.800
High resolution limit [Å]	1.700	4.550	1.700
Rmerge	0.067	0.047	0.628
Number of reflections	73034	3757	11562
<I/σ(I)>	13.1	32.46	2.48
Completeness [%]	90.8	83.5	92.7
Redundancy	5.17	7.41	4.02

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 0.2M MgCl2, 10.0% PEG 3000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NANODROP, 0.2M MgCl2, 10.0% PEG 3000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K