2QEU

Crystal structure of putative carboxymuconolactone decarboxylase (YP_555818.1) from Burkholderia xenovorans LB400 at 1.65 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	2007-06-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97903, 0.97920
Spacegroup name	P 61 2 2
Unit cell lengths	71.173, 71.173, 325.501
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.761 - 1.650
R-factor	0.154
Rwork	0.152
R-free	0.18000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.764
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]	29.761	29.761	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.147	0.012	0.012
Total number of observations		7206	46945
Number of reflections	60310
<I/σ(I)>	13.8	8.4	2
Completeness [%]	100.0	98.4	100
Redundancy	10.6	8.5	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.57	277	NANODROP, 23.4% PEG 4000, 15.0% Glycerol, 0.17M Ammonium acetate, 0.1M Citric acid pH 5.57, VAPOR DIFFUSION, SITTING DROP, temperature 277K