3QNM

Haloalkane Dehalogenase Family Member from Bacteroides thetaiotaomicron of Unknown Function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Collection date	2010-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	42.850, 51.190, 123.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.159 - 1.700
R-factor	0.1681
Rwork	0.166
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.227
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	29690
<I/σ(I)>	15.3	3.5
Completeness [%]	97.1	88.8
Redundancy	6.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	Protein 12.35 mg/m, 10 mM HEPES pH 7.5, 150 mM NaCl, 10% glycerol, 5 mM DTT Precipitant, 100 mM Bis-Tris pH 6.5, 25% PEG 3350, 200 mM Magnesium Chloride hexahydrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K