3MEL
Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150
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 | 2010-03-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.286, 102.112, 94.277 |
| Unit cell angles | 90.00, 98.13, 90.00 |
Refinement procedure
| Resolution | 48.530 - 2.788 |
| Rwork | 0.168 |
| R-free | 0.24930 |
| Structure solution method | MAD |
| Starting model (for MR) | GtR2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.791 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD (RickShaw server) |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.105)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.788 | 2.800 |
| Rmerge | 0.097 | 0.484 |
| Number of reflections | 56964 | 0 |
| <I/σ(I)> | 7.9 | 1.6 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: MgSO4 - 0.15M, Bis-Tris 0.1M, PEG8K 16%, ATP, MgCl2, thiamine, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
