4MRU

Crystal structure of a susD homolog (BT1281) from Bacteroides thetaiotaomicron VPI-5482 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794,0.9184,0.9793
Spacegroup name	P 1
Unit cell lengths	51.146, 74.673, 78.057
Unit cell angles	78.73, 73.51, 78.62

Refinement procedure

Resolution	28.387 - 1.900
R-factor	0.1369
Rwork	0.135
R-free	0.17570
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.387	28.390	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.075	0.051	0.239
Number of reflections	74269	15253	13143
<I/σ(I)>	5.07	10.2	1.8
Completeness [%]	84.9	88.3	74.6
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2000M magnesium acetate, 20.0000% polyethylene glycol 8000, 0.1M sodium cacodylate pH 6.5, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K