3E02

Crystal structure of a duf849 family protein (bxe_c0271) from burkholderia xenovorans lb400 at 1.90 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	2008-07-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97934,0.97892
Spacegroup name	P 62 2 2
Unit cell lengths	103.837, 103.837, 128.969
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.198 - 1.900
R-factor	0.16
Rwork	0.158
R-free	0.18100
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.617
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]	29.198	29.200	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.107	0.057	0.625
Total number of observations		2536	17160
Number of reflections	32785
<I/σ(I)>		9.3	1
Completeness [%]	99.5	96	99.7
Redundancy	7.1	6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	1.0000M K/Na Tartrate, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K