3LM8
Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-21 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.943, 62.153, 84.161 |
| Unit cell angles | 82.89, 82.02, 87.61 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.25300 |
| Structure solution method | MIR |
| Starting model (for MR) | 3k94 |
| RMSD bond length | 0.007 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.075 | 0.277 |
| Number of reflections | 57881 | |
| <I/σ(I)> | 7.2 | 1.9 |
| Completeness [%] | 93.7 | 91 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M KH2PO4, 0.1M Na-acetate, 12% PEG-20K, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
