3IV0

Crystal structure of SusD homolog (NP_809186.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 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)	0.91837,0.97848,0.97787
Spacegroup name	P 1 21 1
Unit cell lengths	50.650, 74.370, 67.375
Unit cell angles	90.00, 111.64, 90.00

Refinement procedure

Resolution	29.656 - 1.350
R-factor	0.147
Rwork	0.146
R-free	0.16700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.417
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.656	29.670	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.071	0.056	0.259
Total number of observations		3543	13377
Number of reflections	87986
<I/σ(I)>	12.5	11.8	2.6
Completeness [%]	86.8	69.7	91.1
Redundancy	4	4.3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	277	0.2000M NaNO3, 20.0000% PEG-3350, No Buffer pH 6.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K