4Q69

Crystal structure of a SusD homolog (BT2259) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 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	2014-02-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.95369,0.97936,0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	135.124, 135.124, 139.567
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	89.672 - 2.500
R-factor	0.1733
Rwork	0.172
R-free	0.19890
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.998
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.672	89.672	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge		0.010	0.010
Total number of observations		3505	23643
Number of reflections	51369
<I/σ(I)>	9	20.9	1.9
Completeness [%]	100.0	98.1	100
Redundancy	6.2	5.4	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1M sodium citrate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K