3DJB
Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
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 | 2007-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 43 |
| Unit cell lengths | 66.273, 66.273, 101.736 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.450 - 2.900 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.29100 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX (then SOLVE/RESOLVE) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.069 | 0.420 |
| Number of reflections | 18813 | |
| <I/σ(I)> | 24.3 | 2.5 |
| Completeness [%] | 98.2 | 100 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7.5 | 291 | Protein solution: 10 mM Tris (pH 7.5), 100 mM NaCl, and 5 mM DTT. Reservoir solution: 100 mM Hepes (pH 7.5), 40% PEG 1k, and 100 mM KNO3., microbatch under oil, temperature 291K |
