3CGH

Crystal structure of a susd homolog (bt_3984) from bacteroides thetaiotaomicron vpi-5482 at 1.70 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	2008-02-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97911, 0.97922
Spacegroup name	C 2 2 21
Unit cell lengths	49.780, 125.270, 174.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.039 - 1.700
R-factor	0.142
Rwork	0.140
R-free	0.16600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.521
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.039	28.039	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.056	0.025	0.328
Number of reflections	60062	11225	11140
<I/σ(I)>	10.61	27.4	2.5
Completeness [%]	98.5	96	97.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	NANODROP, 0.2M NH4OAc, 30.0% PEG 4000, 0.1M Citrate pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K