2Q0T

Crystal structure of a putative gamma-carboxymuconolactone decarboxylase subunit (bxe_b0980) from burkholderia xenovorans lb400 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97941, 0.97905
Spacegroup name	P 1 21 1
Unit cell lengths	50.300, 83.110, 99.260
Unit cell angles	90.00, 103.16, 90.00

Refinement procedure

Resolution	29.086 - 1.700
R-factor	0.156
Rwork	0.154
R-free	0.19300
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.509
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.086	29.086	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.074	0.026	0.492
Number of reflections	86578	16462	15880
<I/σ(I)>	6.95	19.8	1.4
Completeness [%]	95.0	95	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 20.0% PEG 8000, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K