3DTO
Crystal structure of the metal-dependent HD domain-containing hydrolase BH2835 from Bacillus halodurans, Northeast Structural Genomics Consortium Target BhR130.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 97.564, 47.987, 111.159 |
Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
Resolution | 19.760 - 3.300 |
R-factor | 0.248 |
Rwork | 0.248 |
R-free | 0.29200 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB (then SOLVE/RESOLVE) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.081 | 0.149 |
Number of reflections | 22713 | |
<I/σ(I)> | 13.1 | 3 |
Completeness [%] | 74.5 | 58.4 |
Redundancy | 3.4 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 7 | 291 | Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 0.1M mops (pH 7), 80% PEG 400, and 0.1M potassium acetate. , microbatch under oil, temperature 291K |