2OWC
Structure of a covalent intermediate in Thermus thermophilus amylomaltase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 92.405, 92.405, 154.115 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.620 - 2.050 |
| R-factor | 0.18763 |
| Rwork | 0.186 |
| R-free | 0.21593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cwy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.284 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.084 | 0.794 |
| Number of reflections | 57412 | |
| <I/σ(I)> | 24 | 2.4 |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.4-0.8 M sodium malonate pH 5.6, 1 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
