3E49

Crystal structure of a prokaryotic domain of unknown function (duf849) with a tim barrel fold (bxe_c0966) from burkholderia xenovorans lb400 at 1.75 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	2008-07-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97936,0.97892
Spacegroup name	P 1
Unit cell lengths	59.495, 68.275, 83.952
Unit cell angles	69.99, 88.07, 72.84

Refinement procedure

Resolution	29.656 - 1.750
R-factor	0.179
Rwork	0.177
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.751
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.656	29.660	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.069	0.050	0.444
Total number of observations		3304	22443
Number of reflections	115967
<I/σ(I)>	6.6	11.8	1.7
Completeness [%]	97.2	96.8	96
Redundancy	2.7	2.6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	40.0000% 2-ethoxyethanol, 0.0500M Ca(OAc)2, 0.1M Imidazole pH 8.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP