3I7J

Crystal Structure of a beta-lactamase (Mb2281c) from Mycobacterium bovis, Northeast Structural Genomics Consortium Target MbR246

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97938
Spacegroup name	P 21 21 21
Unit cell lengths	65.097, 97.834, 114.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.880 - 2.200
R-factor	0.186
Rwork	0.185
R-free	0.23300
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB (then SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.113	0.437
Number of reflections	71052
<I/σ(I)>	16.72	3.31
Completeness [%]	99.8	99.1
Redundancy	6.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microbatch, under oil	7	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 100mM Bis-Tris Propane (pH 7), 24% (w/v) PEG 20000, and 100mM Lithium sulfate monohydrate., Microbatch, under oil, temperature 277K