3EN8

Crystal structure of NTF-2 like protein of unknown function (YP_553245.1) from BURKHOLDERIA XENOVORANS LB400 at 1.85 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	2008-08-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97920,0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	61.507, 60.329, 92.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.185 - 1.850
R-factor	0.187
Rwork	0.185
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.362
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.4.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.185	29.190	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.090	0.061	0.373
Total number of observations		549	3733
Number of reflections	15025
<I/σ(I)>	5.802	7.8	2.1
Completeness [%]	99.7	97.3	99.3
Redundancy	3.4	2.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2000M Ca(OAc)2, 40.0000% PEG-600, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K