1XK7
Crystal Structure- C2 form- of Escherichia coli Crotonobetainyl-CoA: carnitine CoA transferase (CaiB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.276, 106.167, 69.676 |
| Unit cell angles | 90.00, 107.45, 90.00 |
Refinement procedure
| Resolution | 45.440 - 1.600 |
| Rwork | 0.187 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xk6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 217938 | |
| <I/σ(I)> | 12.6 | 4.59 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 294 | 12.5% (w/v) PEG 8000, 0.1 M Tris-Cl (pH 7.5), 0.2 M MgCl2, VAPOR DIFFUSION, temperature 294K |
