3FDH

Crystal structure of a susd/ragb family protein (bt_2033) from bacteroides thetaiotaomicron vpi-5482 at 1.75 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	2008-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97871,0.97799
Spacegroup name	I 2 2 2
Unit cell lengths	83.854, 116.708, 118.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.553 - 1.750
R-factor	0.159
Rwork	0.158
R-free	0.18900
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.630
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.553	29.553	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.118	0.061	0.686
Total number of observations		2685	17876
Number of reflections	58982
<I/σ(I)>	4.449	9.6	1.1
Completeness [%]	99.9	96.9	100
Redundancy	4.1	3.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	30.0000% PEG-6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K