2HUH

Crystal structure of a duf2027 family protein (bt_2179) from bacteroides thetaiotaomicron at 1.54 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	2006-07-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97922,0.97905
Spacegroup name	P 43 21 2
Unit cell lengths	43.043, 43.043, 167.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.002 - 1.540
R-factor	0.168
Rwork	0.166
R-free	0.19200
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.493
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.002	30.010	1.580
High resolution limit [Å]	1.500	6.890	1.540
Rmerge	0.076	0.045	0.767
Total number of observations		3719	6679
Number of reflections	23849
<I/σ(I)>	6.1	12.4	1
Completeness [%]	97.6	98.3	92.7
Redundancy	8.4	10.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	293	12.0% PEG-3000, 0.2M NaCl, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K