3DHN

Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR310.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97922, 0.97938, 0.96785
Spacegroup name	P 21 21 21
Unit cell lengths	51.339, 54.007, 93.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.340 - 2.000
R-factor	0.232
Rwork	0.232
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.109	0.482
Number of reflections	32609
<I/σ(I)>	14.1	2.17
Completeness [%]	96.1	76.1
Redundancy	4.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	14% PEG 20000, 0.1M NH(4)H(2)PO(4), 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K