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 |