3HLZ

Crystal structure of BT_1490 (NP_810393.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.50 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	2009-04-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97845
Spacegroup name	P 1
Unit cell lengths	31.210, 62.087, 68.555
Unit cell angles	90.39, 91.50, 97.34

Refinement procedure

Resolution	29.814 - 1.500
R-factor	0.171
Rwork	0.169
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.486
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]	29.814	29.814	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.039	0.018	0.304
Number of reflections	76979	15790	10843
<I/σ(I)>	10.1	28	1.4
Completeness [%]	87.9	96.3	70.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.2000M Ca(OAc)2, 20.0000% PEG-8000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K