3HNM

Crystal Structure of Protein BT_411 (putative chitobiase, fragment 298-461) from Bacteroides thetaiotaomicron, Northeast Structural Genomics Consortium Target BtR319D

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	2009-04-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97909, 0.97922, 0.96790
Spacegroup name	I 41 2 2
Unit cell lengths	141.520, 141.520, 232.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
Rwork	0.235
R-free	0.28080
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.710
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	Auto-Rickshaw
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Rmerge	0.101
Number of reflections	90200
<I/σ(I)>	15.7
Completeness [%]	100.0
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), VAPOR DIFFUSION, HANGING DROP